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

Systemtic Name: ethyl N-[4-ethyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-ethyl-phenyl]sulfamate CAS Name: N-[4-ethyl-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-ethylphenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-ethyl-phenyl]sulfamic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3S/c1-3-17-10-11-20(23-28(25,26)27-4-2)21(15-17)24-13-12-22-19(16-24)14-18-8-6-5-7-9-18/h5-11,15,19,22-23H,3-4,12-14,16H2,1-2H3