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

Systemtic Name: 4-[(E)-3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide Openeye Name: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxo-prop-1-enyl]-N-cyclopropyl-benzamide CAS Name: 4-[(E)-3-[4-(1-azepanylsulfonyl)anilino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide IUPAC Name: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide Traditional Name: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)anilino]-3-keto-prop-1-enyl]-N-cyclopropyl-benzamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C(=O)NC4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4CC4

InChI

InChI=1S/C25H29N3O4S/c29-24(16-7-19-5-8-20(9-6-19)25(30)27-22-10-11-22)26-21-12-14-23(15-13-21)33(31,32)28-17-3-1-2-4-18-28/h5-9,12-16,22H,1-4,10-11,17-18H2,(H,26,29)(H,27,30)/b16-7+