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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCN(CC3)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCN(CC3)C)C

InChI

InChI=1S/C21H31N3O3S2/c1-4-12-27-21-6-5-19(14-17(21)2)29(25,26)22-15-20(18-7-13-28-16-18)24-10-8-23(3)9-11-24/h5-7,13-14,16,20,22H,4,8-12,15H2,1-3H3