5-(azepan-1-ylsulfonyl)-2-methyl-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(2-benzylsulfanylethyl)-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methyl-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(2-benzylsulfanylethyl)-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-(benzylthio)ethyl]-2-methyl-benzamide Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3S2/c1-19-11-12-21(30(27,28)25-14-7-2-3-8-15-25)17-22(19)23(26)24-13-16-29-18-20-9-5-4-6-10-20/h4-6,9-12,17H,2-3,7-8,13-16,18H2,1H3,(H,24,26)