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

Systemtic Name: 4-ethoxy-3-methyl-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-methyl-benzenesulfonamide CAS Name: 4-ethoxy-3-methyl-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-methylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-4-ethoxy-3-methyl-benzenesulfonamide Formula: C27H35N3O3S2 MolecularWeight: 513.7151

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H35N3O3S2/c1-4-33-25-13-12-24(19-21(25)2)35(31,32)28-22(3)27(26-11-8-18-34-26)30-16-14-29(15-17-30)20-23-9-6-5-7-10-23/h5-13,18-19,22,27-28H,4,14-17,20H2,1-3H3