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

Systemtic Name: ethyl N-[2-[3-(phenylsulfonyl)piperazin-1-yl]-4-propyl-phenyl]sulfamate Openeye Name: ethyl N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-propyl-phenyl]sulfamate CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-4-propylphenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-propylphenyl]sulfamate Traditional Name: N-[2-(3-besylpiperazino)-4-propyl-phenyl]sulfamic acid ethyl ester Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S2/c1-3-8-17-11-12-19(23-31(27,28)29-4-2)20(15-17)24-14-13-22-21(16-24)30(25,26)18-9-6-5-7-10-18/h5-7,9-12,15,21-23H,3-4,8,13-14,16H2,1-2H3