3-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid hydrochloride

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid hydrochloride Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)sulfonyl-4-methoxy-benzoic acid hydrochloride CAS Name: 3-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]-4-methoxybenzoic acid hydrochloride IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)sulfonyl-4-methoxybenzoic acid hydrochloride Traditional Name: 3-(4-benzhydrylpiperazino)sulfonyl-4-methoxy-benzoic acid hydrochloride Formula: C25H27ClN2O5S MolecularWeight: 503.01028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H26N2O5S.ClH/c1-32-22-13-12-21(25(28)29)18-23(22)33(30,31)27-16-14-26(15-17-27)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20;/h2-13,18,24H,14-17H2,1H3,(H,28,29);1H