phenyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate

Systemtic Name: phenyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-benzylpiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)ethyl]sulfamate CAS Name: N-[2-[3-(phenylmethyl)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-benzylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]sulfamic acid phenyl ester Formula: C28H35N3O5S2 MolecularWeight: 557.7246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

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