4-ethoxy-3,5-dimethyl-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide

Systemtic Name: 4-ethoxy-3,5-dimethyl-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-4-ethoxy-3,5-dimethyl-benzenesulfonamide CAS Name: 4-ethoxy-3,5-dimethyl-N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-ethoxy-3,5-dimethylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-4-ethoxy-3,5-dimethyl-benzenesulfonamide Formula: C28H37N3O3S2 MolecularWeight: 527.74168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C)S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C)S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H37N3O3S2/c1-5-34-28-21(2)18-25(19-22(28)3)36(32,33)29-23(4)27(26-12-9-17-35-26)31-15-13-30(14-16-31)20-24-10-7-6-8-11-24/h6-12,17-19,23,27,29H,5,13-16,20H2,1-4H3