4-[4-(diphenylmethyl)piperazin-1-yl]-3-(ethylsulfonylamino)benzoic acid

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-3-(ethylsulfonylamino)benzoic acid Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-3-(ethylsulfonylamino)benzoic acid CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-3-(ethylsulfonylamino)benzoic acid IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-3-(ethylsulfonylamino)benzoic acid Traditional Name: 4-(4-benzhydrylpiperazino)-3-(esylamino)benzoic acid Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-2-34(32,33)27-23-19-22(26(30)31)13-14-24(23)28-15-17-29(18-16-28)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25,27H,2,15-18H2,1H3,(H,30,31)