[2-[3-(phenylmethyl)piperazin-1-yl]-4-propyl-phenyl]sulfamic acid

Systemtic Name: [2-[3-(phenylmethyl)piperazin-1-yl]-4-propyl-phenyl]sulfamic acid Openeye Name: [2-(3-benzylpiperazin-1-yl)-4-propyl-phenyl]sulfamic acid CAS Name: [2-[3-(phenylmethyl)-1-piperazinyl]-4-propylphenyl]sulfamic acid IUPAC Name: [2-(3-benzylpiperazin-1-yl)-4-propylphenyl]sulfamic acid Traditional Name: [2-(3-benzylpiperazino)-4-propyl-phenyl]sulfamic acid Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3S/c1-2-6-16-9-10-19(22-27(24,25)26)20(14-16)23-12-11-21-18(15-23)13-17-7-4-3-5-8-17/h3-5,7-10,14,18,21-22H,2,6,11-13,15H2,1H3,(H,24,25,26)