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

Systemtic Name: ethyl N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-isobutyl-phenyl]sulfamate CAS Name: N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-isobutyl-phenyl]sulfamic acid ethyl ester Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC(C)C)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC(C)C)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O3S/c1-4-29-30(27,28)25-22-11-10-20(14-18(2)3)16-23(22)26-13-12-24-21(17-26)15-19-8-6-5-7-9-19/h5-11,16,18,21,24-25H,4,12-15,17H2,1-3H3