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

Systemtic Name: ethyl 4-[4-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H26ClN3O6S MolecularWeight: 495.97634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H26ClN3O6S/c1-3-32-22(28)16-4-7-18(8-5-16)33(29,30)26-12-10-25(11-13-26)15-21(27)24-17-6-9-20(31-2)19(23)14-17/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)