5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(o-tolylmethylsulfanyl)ethyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[2-[(2-methylphenyl)methylthio]ethyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-[(2-methylbenzyl)thio]ethyl]benzamide Formula: C23H29ClN2O3S2 MolecularWeight: 481.07096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC1=CC=CC=C1CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C23H29ClN2O3S2/c1-18-8-4-5-9-19(18)17-30-15-12-25-23(27)21-16-20(10-11-22(21)24)31(28,29)26-13-6-2-3-7-14-26/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3,(H,25,27)