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

Systemtic Name: N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxo-propyl]benzamide CAS Name: N-[3-[4-(1-azepanylsulfonyl)anilino]-3-oxopropyl]benzamide IUPAC Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]benzamide Traditional Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-keto-propyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c26-21(14-15-23-22(27)18-8-4-3-5-9-18)24-19-10-12-20(13-11-19)30(28,29)25-16-6-1-2-7-17-25/h3-5,8-13H,1-2,6-7,14-17H2,(H,23,27)(H,24,26)