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

Systemtic Name: phenyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-propylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-benzylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate CAS Name: N-[2-[3-(phenylmethyl)-1-piperazinyl]-2-(4-propylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-benzylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-2-(4-propylphenyl)ethyl]sulfamic acid phenyl ester Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O3S/c1-2-9-23-14-16-25(17-15-23)28(21-30-35(32,33)34-27-12-7-4-8-13-27)31-19-18-29-26(22-31)20-24-10-5-3-6-11-24/h3-8,10-17,26,28-30H,2,9,18-22H2,1H3