4-chloranyl-2-[[2-(4-phenylpiperazin-1-yl)ethoxy-(phenylsulfonyl)carbamoyl]amino]benzoic acid

Systemtic Name: 4-chloranyl-2-[[2-(4-phenylpiperazin-1-yl)ethoxy-(phenylsulfonyl)carbamoyl]amino]benzoic acid Openeye Name: 2-[[benzenesulfonyl-[2-(4-phenylpiperazin-1-yl)ethoxy]carbamoyl]amino]-4-chloro-benzoic acid CAS Name: 2-[[[benzenesulfonyl-[2-(4-phenyl-1-piperazinyl)ethoxy]amino]-oxomethyl]amino]-4-chlorobenzoic acid IUPAC Name: 2-[[benzenesulfonyl-[2-(4-phenylpiperazin-1-yl)ethoxy]carbamoyl]amino]-4-chlorobenzoic acid Traditional Name: 2-[[besyl-[2-(4-phenylpiperazino)ethoxy]carbamoyl]amino]-4-chloro-benzoic acid Formula: C26H27ClN4O6S MolecularWeight: 559.03378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCON(C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCON(C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27ClN4O6S/c27-20-11-12-23(25(32)33)24(19-20)28-26(34)31(38(35,36)22-9-5-2-6-10-22)37-18-17-29-13-15-30(16-14-29)21-7-3-1-4-8-21/h1-12,19H,13-18H2,(H,28,34)(H,32,33)