2-[(3-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[3-chloro-2-methyl-N-(p-tolylsulfonyl)anilino]-N-[[4-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-chloro-2-methyl-N-tosyl-anilino)-N-(4-piperidinobenzyl)acetamide Formula: C28H32ClN3O3S MolecularWeight: 526.08998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCCC3)C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCCC3)C4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C28H32ClN3O3S/c1-21-9-15-25(16-10-21)36(34,35)32(27-8-6-7-26(29)22(27)2)20-28(33)30-19-23-11-13-24(14-12-23)31-17-4-3-5-18-31/h6-16H,3-5,17-20H2,1-2H3,(H,30,33)