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

Systemtic Name: N-[4-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butyl]-4-chloranyl-benzamide Openeye Name: N-[4-[3-(azepan-1-ylsulfonyl)anilino]-4-oxo-butyl]-4-chloro-benzamide CAS Name: N-[4-[3-(1-azepanylsulfonyl)anilino]-4-oxobutyl]-4-chlorobenzamide IUPAC Name: N-[4-[3-(azepan-1-ylsulfonyl)anilino]-4-oxobutyl]-4-chlorobenzamide Traditional Name: N-[4-[3-(azepan-1-ylsulfonyl)anilino]-4-keto-butyl]-4-chloro-benzamide Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4S/c24-19-12-10-18(11-13-19)23(29)25-14-6-9-22(28)26-20-7-5-8-21(17-20)32(30,31)27-15-3-1-2-4-16-27/h5,7-8,10-13,17H,1-4,6,9,14-16H2,(H,25,29)(H,26,28)