N-[2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-propylphenyl)ethyl]propane-2-sulfonamide

Systemtic Name: N-[2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-propylphenyl)ethyl]propane-2-sulfonamide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]propane-2-sulfonamide CAS Name: N-[2-[3-(phenylmethyl)-1-piperazinyl]-2-(4-propylphenyl)ethyl]-2-propanesulfonamide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-(3-benzylpiperazino)-2-(4-propylphenyl)ethyl]propane-2-sulfonamide Formula: C25H37N3O2S MolecularWeight: 443.64518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O2S/c1-4-8-21-11-13-23(14-12-21)25(18-27-31(29,30)20(2)3)28-16-15-26-24(19-28)17-22-9-6-5-7-10-22/h5-7,9-14,20,24-27H,4,8,15-19H2,1-3H3