phenyl 4-[2-methyl-4-(phenylmethyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-methyl-4-(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(4-benzyl-2-methyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[2-methyl-4-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-benzyl-2-methylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-benzyl-2-methyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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