ethyl 4-chloranyl-2-[[2-(4-phenylpiperazin-1-yl)ethoxy-(phenylsulfonyl)carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-chloranyl-2-[[2-(4-phenylpiperazin-1-yl)ethoxy-(phenylsulfonyl)carbamoyl]amino]benzoate Openeye Name: ethyl 2-[[benzenesulfonyl-[2-(4-phenylpiperazin-1-yl)ethoxy]carbamoyl]amino]-4-chloro-benzoate CAS Name: 2-[[[benzenesulfonyl-[2-(4-phenyl-1-piperazinyl)ethoxy]amino]-oxomethyl]amino]-4-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 2-[[benzenesulfonyl-[2-(4-phenylpiperazin-1-yl)ethoxy]carbamoyl]amino]-4-chlorobenzoate Traditional Name: 2-[[besyl-[2-(4-phenylpiperazino)ethoxy]carbamoyl]amino]-4-chloro-benzoic acid ethyl ester Formula: C28H31ClN4O6S MolecularWeight: 587.08694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)Cl)NC(=O)N(OCCN2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)Cl)NC(=O)N(OCCN2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H31ClN4O6S/c1-2-38-27(34)25-14-13-22(29)21-26(25)30-28(35)33(40(36,37)24-11-7-4-8-12-24)39-20-19-31-15-17-32(18-16-31)23-9-5-3-6-10-23/h3-14,21H,2,15-20H2,1H3,(H,30,35)