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

Systemtic Name: phenyl 4-[2-(phenylmethyl)-4-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(2-benzyl-4-isopropylsulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[2-(phenylmethyl)-4-propan-2-ylsulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-benzyl-4-propan-2-ylsulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-(2-benzyl-4-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=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O5S2/c1-20(2)34(29,30)24-13-14-25(22(18-24)17-21-9-5-3-6-10-21)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