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

Systemtic Name: methyl N-[4-ethyl-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: methyl N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-ethyl-phenyl]sulfamate CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-4-ethylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-ethylphenyl]sulfamate Traditional Name: N-[2-(3-besylpiperazino)-4-ethyl-phenyl]sulfamic acid methyl ester Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O5S2/c1-3-15-9-10-17(21-29(25,26)27-2)18(13-15)22-12-11-20-19(14-22)28(23,24)16-7-5-4-6-8-16/h4-10,13,19-21H,3,11-12,14H2,1-2H3