N-[3-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]-4-chloranyl-benzamide

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]-4-chloranyl-benzamide Openeye Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxo-propyl]-4-chloro-benzamide CAS Name: N-[3-[3-(1-azepanylsulfonyl)anilino]-3-oxopropyl]-4-chlorobenzamide IUPAC Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-4-chlorobenzamide Traditional Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-keto-propyl]-4-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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4S/c23-18-10-8-17(9-11-18)22(28)24-13-12-21(27)25-19-6-5-7-20(16-19)31(29,30)26-14-3-1-2-4-15-26/h5-11,16H,1-4,12-15H2,(H,24,28)(H,25,27)