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

Systemtic Name: phenyl N-[2-(4-ethylphenyl)-2-[3-(phenylmethyl)piperazin-1-yl]ethyl]sulfamate Openeye Name: phenyl N-[2-(3-benzylpiperazin-1-yl)-2-(4-ethylphenyl)ethyl]sulfamate CAS Name: N-[2-(4-ethylphenyl)-2-[3-(phenylmethyl)-1-piperazinyl]ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-benzylpiperazin-1-yl)-2-(4-ethylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-2-(4-ethylphenyl)ethyl]sulfamic acid phenyl ester Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3S/c1-2-22-13-15-24(16-14-22)27(20-29-34(31,32)33-26-11-7-4-8-12-26)30-18-17-28-25(21-30)19-23-9-5-3-6-10-23/h3-16,25,27-29H,2,17-21H2,1H3