N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(p-tolylsulfanylmethyl)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-[[(4-methylphenyl)thio]methyl]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(p-tolylthio)methyl]benzamide Formula: C27H30N2O3S2 MolecularWeight: 494.6687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H30N2O3S2/c1-21-6-14-25(15-7-21)33-20-22-8-10-23(11-9-22)27(30)28-24-12-16-26(17-13-24)34(31,32)29-18-4-2-3-5-19-29/h6-17H,2-5,18-20H2,1H3,(H,28,30)