[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: (2-oxo-2-ureido-ethyl) 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid (2-keto-2-ureido-ethyl) ester Formula: C20H21ClN4O6S MolecularWeight: 480.92194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)NC(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)NC(=O)N

InChI

InChI=1S/C20H21ClN4O6S/c21-17-7-6-15(12-16(17)19(27)31-13-18(26)23-20(22)28)32(29,30)25-10-8-24(9-11-25)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H3,22,23,26,28)