ethyl 4-[4-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C28H30ClN3O6S MolecularWeight: 572.0723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C28H30ClN3O6S/c1-3-38-28(34)21-9-12-23(13-10-21)39(35,36)32-17-15-31(16-18-32)26(20-7-5-4-6-8-20)27(33)30-22-11-14-25(37-2)24(29)19-22/h4-14,19,26H,3,15-18H2,1-2H3,(H,30,33)