phenyl 5-(phenylmethyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 5-(phenylmethyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-benzyl-2-(3-isopropylsulfonylpiperazin-1-yl)benzenesulfonate CAS Name: 5-(phenylmethyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-benzyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 5-benzyl-2-(3-isopropylsulfonylpiperazino)benzenesulfonic acid phenyl ester Formula: C26H30N2O5S2 MolecularWeight: 514.6568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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