N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfanyl-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-[(4-chlorophenyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-chlorophenyl)thio]propionamide 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)NC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S2/c22-17-5-9-19(10-6-17)28-16-13-21(25)23-18-7-11-20(12-8-18)29(26,27)24-14-3-1-2-4-15-24/h5-12H,1-4,13-16H2,(H,23,25)