2-[(S)-(4-methylphenyl)-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-[(S)-(4-methylphenyl)-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[(S)-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-(p-tolyl)methyl]phenol CAS Name: 2-[(S)-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-(4-methylphenyl)methyl]phenol IUPAC Name: 2-[(S)-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-(4-methylphenyl)methyl]phenol Traditional Name: 2-[(S)-(4-besylpiperazin-1-ium-1-yl)-(p-tolyl)methyl]phenol Formula: C24H27N2O3S+ MolecularWeight: 423.54778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3S/c1-19-11-13-20(14-12-19)24(22-9-5-6-10-23(22)27)25-15-17-26(18-16-25)30(28,29)21-7-3-2-4-8-21/h2-14,24,27H,15-18H2,1H3/p+1/t24-/m0/s1