N-[3-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]-2-chloranyl-benzamide

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]-2-chloranyl-benzamide Openeye Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxo-propyl]-2-chloro-benzamide CAS Name: N-[3-[3-(1-azepanylsulfonyl)anilino]-3-oxopropyl]-2-chlorobenzamide IUPAC Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-2-chlorobenzamide Traditional Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-keto-propyl]-2-chloro-benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O4S/c23-20-11-4-3-10-19(20)22(28)24-13-12-21(27)25-17-8-7-9-18(16-17)31(29,30)26-14-5-1-2-6-15-26/h3-4,7-11,16H,1-2,5-6,12-15H2,(H,24,28)(H,25,27)