N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2-naphthalen-1-yl-ethanamide

Systemtic Name: N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2-naphthalen-1-yl-ethanamide Openeye Name: 2-(1-naphthyl)-N-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]acetamide CAS Name: N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide Traditional Name: N-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-2-(1-naphthyl)acetamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H29N3O4S/c1-20-10-12-23(13-11-20)34(32,33)29-15-5-14-28(16-17-29)26(31)19-27-25(30)18-22-8-4-7-21-6-2-3-9-24(21)22/h2-4,6-13H,5,14-19H2,1H3,(H,27,30)