5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(2-phenylsulfanylethyl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(2-phenylsulfanylethyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-phenylsulfanylethyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[2-(phenylthio)ethyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-phenylsulfanylethyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(phenylthio)ethyl]benzamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN2O3S2/c22-20-11-10-18(29(26,27)24-13-6-1-2-7-14-24)16-19(20)21(25)23-12-15-28-17-8-4-3-5-9-17/h3-5,8-11,16H,1-2,6-7,12-15H2,(H,23,25)