2-methyl-N-[3-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-methyl-N-[3-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-methyl-N-[2-methyl-1-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]propyl]benzamide CAS Name: 2-methyl-N-[3-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxobutan-2-yl]benzamide IUPAC Name: 2-methyl-N-[3-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: 2-methyl-N-[2-methyl-1-(4-tosyl-1,4-diazepane-1-carbonyl)propyl]benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C(C(C)C)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C(C(C)C)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H33N3O4S/c1-18(2)23(26-24(29)22-9-6-5-8-20(22)4)25(30)27-14-7-15-28(17-16-27)33(31,32)21-12-10-19(3)11-13-21/h5-6,8-13,18,23H,7,14-17H2,1-4H3,(H,26,29)