1-[4-[[(5-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]methyl]phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-[[(5-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]methyl]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-[[N-(benzenesulfonyl)-5-chloro-2-methyl-anilino]methyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[(N-besyl-5-chloro-2-methyl-anilino)methyl]benzoyl]isonipecotamide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28ClN3O4S/c1-19-7-12-23(28)17-25(19)31(36(34,35)24-5-3-2-4-6-24)18-20-8-10-22(11-9-20)27(33)30-15-13-21(14-16-30)26(29)32/h2-12,17,21H,13-16,18H2,1H3,(H2,29,32)