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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonyl-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonyl-propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonyl-propionamide Formula: C21H25ClN2O5S2 MolecularWeight: 485.0166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S2/c22-17-8-10-19(11-9-17)30(26,27)15-12-21(25)23-18-6-5-7-20(16-18)31(28,29)24-13-3-1-2-4-14-24/h5-11,16H,1-4,12-15H2,(H,23,25)