4-[(E)-3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[(E)-3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide Openeye Name: 4-[(E)-3-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-3-oxo-prop-1-enyl]-N-cyclopropyl-benzamide CAS Name: 4-[(E)-3-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide IUPAC Name: 4-[(E)-3-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide Traditional Name: 4-[(E)-3-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-3-keto-prop-1-enyl]-N-cyclopropyl-benzamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C=CC3=CC=C(C=C3)C(=O)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4CC4

InChI

InChI=1S/C26H31N3O5S/c1-34-24-14-13-22(35(32,33)29-16-4-2-3-5-17-29)18-23(24)28-25(30)15-8-19-6-9-20(10-7-19)26(31)27-21-11-12-21/h6-10,13-15,18,21H,2-5,11-12,16-17H2,1H3,(H,27,31)(H,28,30)/b15-8+