5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[2-methyl-4-[(phenylthio)methyl]phenyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-methyl-4-[(phenylthio)methyl]phenyl]benzamide Formula: C27H29ClN2O3S2 MolecularWeight: 529.11376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C27H29ClN2O3S2/c1-20-17-21(19-34-22-9-5-4-6-10-22)11-14-26(20)29-27(31)24-18-23(12-13-25(24)28)35(32,33)30-15-7-2-3-8-16-30/h4-6,9-14,17-18H,2-3,7-8,15-16,19H2,1H3,(H,29,31)