N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-4-(2-methylpropoxy)benzenesulfonamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-4-(2-methylpropoxy)benzenesulfonamide Openeye Name: 4-isobutoxy-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]benzenesulfonamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-4-(2-methylpropoxy)benzenesulfonamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(2-methylpropoxy)benzenesulfonamide Traditional Name: 4-isobutoxy-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]benzenesulfonamide Formula: C21H31N3O3S2 MolecularWeight: 437.61914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCN(CC3)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H31N3O3S2/c1-17(2)15-27-19-4-6-20(7-5-19)29(25,26)22-14-21(18-8-13-28-16-18)24-11-9-23(3)10-12-24/h4-8,13,16-17,21-22H,9-12,14-15H2,1-3H3