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

Systemtic Name: methyl N-[2-[3-(phenylsulfonyl)piperazin-1-yl]-4-propyl-phenyl]sulfamate Openeye Name: methyl N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-propyl-phenyl]sulfamate CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-4-propylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-propylphenyl]sulfamate Traditional Name: N-[2-(3-besylpiperazino)-4-propyl-phenyl]sulfamic acid methyl ester Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O5S2/c1-3-7-16-10-11-18(22-30(26,27)28-2)19(14-16)23-13-12-21-20(15-23)29(24,25)17-8-5-4-6-9-17/h4-6,8-11,14,20-22H,3,7,12-13,15H2,1-2H3