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

Systemtic Name: ethyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propyl-phenyl]sulfamate Openeye Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-propyl-phenyl]sulfamate CAS Name: N-[2-[3-(phenylmethyl)-1-piperazinyl]-4-propylphenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-propylphenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-propyl-phenyl]sulfamic acid ethyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3S/c1-3-8-18-11-12-21(24-29(26,27)28-4-2)22(16-18)25-14-13-23-20(17-25)15-19-9-6-5-7-10-19/h5-7,9-12,16,20,23-24H,3-4,8,13-15,17H2,1-2H3