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

Systemtic Name: phenyl N-[2-(3-ethoxypiperazin-1-yl)-2-(4-ethylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-ethoxypiperazin-1-yl)-2-(4-ethylphenyl)ethyl]sulfamate CAS Name: N-[2-(3-ethoxy-1-piperazinyl)-2-(4-ethylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-ethoxypiperazin-1-yl)-2-(4-ethylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-ethoxypiperazino)-2-(4-ethylphenyl)ethyl]sulfamic acid phenyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4S/c1-3-18-10-12-19(13-11-18)21(25-15-14-23-22(17-25)28-4-2)16-24-30(26,27)29-20-8-6-5-7-9-20/h5-13,21-24H,3-4,14-17H2,1-2H3