phenyl 4-[2-[(phenylmethyl)amino]-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-[(phenylmethyl)amino]-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(benzylamino)-1-(3-isopropylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-[(phenylmethyl)amino]-1-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(benzylamino)-1-(3-isopropylsulfonylpiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C28H35N3O5S2 MolecularWeight: 557.7246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C(CNCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C(CNCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O5S2/c1-22(2)37(32,33)28-21-31(18-17-30-28)27(20-29-19-23-9-5-3-6-10-23)24-13-15-26(16-14-24)38(34,35)36-25-11-7-4-8-12-25/h3-16,22,27-30H,17-21H2,1-2H3