3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-ethylsulfanylphenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-ethylsulfanylphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-ethylsulfanylphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-(ethylthio)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-ethylsulfanylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(ethylthio)phenyl]benzamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25ClN2O3S2/c1-2-28-19-10-6-5-9-18(19)23-21(25)16-11-12-17(22)20(15-16)29(26,27)24-13-7-3-4-8-14-24/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,23,25)