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

Systemtic Name: phenyl N-[2-(3-ethoxypiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-ethoxypiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate CAS Name: N-[2-(3-ethoxy-1-piperazinyl)-2-(4-propylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-ethoxypiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-ethoxypiperazino)-2-(4-propylphenyl)ethyl]sulfamic acid phenyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4S/c1-3-8-19-11-13-20(14-12-19)22(26-16-15-24-23(18-26)29-4-2)17-25-31(27,28)30-21-9-6-5-7-10-21/h5-7,9-14,22-25H,3-4,8,15-18H2,1-2H3