5-(azepan-1-ylsulfonyl)-2-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[2-(m-tolylmethylsulfanyl)ethyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methyl-N-[2-[(3-methylphenyl)methylthio]ethyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[2-[(3-methylbenzyl)thio]ethyl]benzamide Formula: C24H32N2O3S2 MolecularWeight: 460.65248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C24H32N2O3S2/c1-19-8-7-9-21(16-19)18-30-15-12-25-24(27)23-17-22(11-10-20(23)2)31(28,29)26-13-5-3-4-6-14-26/h7-11,16-17H,3-6,12-15,18H2,1-2H3,(H,25,27)