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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4S/c24-19-9-7-18(8-10-19)23(29)25-15-5-6-22(28)26-20-11-13-21(14-12-20)32(30,31)27-16-3-1-2-4-17-27/h7-14H,1-6,15-17H2,(H,25,29)(H,26,28)