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

Systemtic Name: N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]-4-chloranyl-benzamide Openeye Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxo-propyl]-4-chloro-benzamide CAS Name: N-[3-[4-(1-azepanylsulfonyl)anilino]-3-oxopropyl]-4-chlorobenzamide IUPAC Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-4-chlorobenzamide Traditional Name: N-[3-[4-(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=C(C=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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