4-methyl-N-[3-methyl-1-[13-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxidanylidene-pentan-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-methyl-1-[13-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxidanylidene-pentan-2-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-methyl-1-[13-[3-methyl-2-(p-tolylsulfonylamino)pentanoyl]-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carbonyl]butyl]benzenesulfonamide CAS Name: 4-methyl-N-[3-methyl-1-[13-[3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[3-methyl-1-[13-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-methyl-1-[13-[3-methyl-2-(tosylamino)pentanoyl]-1,4,10-trioxa-7,13-diazacyclopentadecane-7-carbonyl]butyl]benzenesulfonamide Formula: C36H56N4O9S2 MolecularWeight: 752.98124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCOCCN(CCOCCOCC1)C(=O)C(C(C)CC)NS(=O)(=O)C2=CC=C(C=C2)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)C(C(=O)N1CCOCCN(CCOCCOCC1)C(=O)C(C(C)CC)NS(=O)(=O)C2=CC=C(C=C2)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C36H56N4O9S2/c1-7-29(5)33(37-50(43,44)31-13-9-27(3)10-14-31)35(41)39-17-21-47-22-18-40(20-24-49-26-25-48-23-19-39)36(42)34(30(6)8-2)38-51(45,46)32-15-11-28(4)12-16-32/h9-16,29-30,33-34,37-38H,7-8,17-26H2,1-6H3