N-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-3-oxidanylidene-propyl]-2-chloranyl-benzamide

Systemtic Name: N-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-3-oxidanylidene-propyl]-2-chloranyl-benzamide Openeye Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-3-oxo-propyl]-2-chloro-benzamide CAS Name: N-[3-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-3-oxopropyl]-2-chlorobenzamide IUPAC Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-3-oxopropyl]-2-chlorobenzamide Traditional Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-3-keto-propyl]-2-chloro-benzamide Formula: C23H28ClN3O5S MolecularWeight: 494.00352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H28ClN3O5S/c1-32-21-11-10-17(33(30,31)27-14-6-2-3-7-15-27)16-20(21)26-22(28)12-13-25-23(29)18-8-4-5-9-19(18)24/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H,25,29)(H,26,28)