N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]-4-propyl-benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-4-propyl-benzenesulfonamide CAS Name: N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]-4-propylbenzenesulfonamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-propylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-4-propyl-benzenesulfonamide Formula: C27H35N3O2S2 MolecularWeight: 497.7157

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2S2/c1-3-8-23-12-14-25(15-13-23)34(31,32)28-22(2)27(26-11-7-20-33-26)30-18-16-29(17-19-30)21-24-9-5-4-6-10-24/h4-7,9-15,20,22,27-28H,3,8,16-19,21H2,1-2H3