2-cyclohexyl-2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-cyclohexyl-2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-cyclohexyl-2-[7-oxo-4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-cyclohexyl-2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-cyclohexyl-2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-cyclohexyl-2-(7-keto-4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(C3CCCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(C3CCCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O4S/c1-21-12-14-24(15-13-21)35(33,34)29-17-16-25(31)30(19-18-29)26(23-10-6-3-7-11-23)27(32)28-20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,23,26H,3,6-7,10-11,16-20H2,1H3,(H,28,32)