phenyl 4-[4-(phenylmethyl)-2-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[4-(phenylmethyl)-2-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(4-benzyl-2-isopropylsulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-(phenylmethyl)-2-propan-2-ylsulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-benzyl-2-propan-2-ylsulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-benzyl-2-isopropylsulfonyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C26H30N2O5S2 MolecularWeight: 514.6568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5S2/c1-20(2)34(29,30)25-18-22(17-21-9-5-3-6-10-21)13-14-24(25)28-16-15-27-26(19-28)35(31,32)33-23-11-7-4-8-12-23/h3-14,18,20,26-27H,15-17,19H2,1-2H3