N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]benzothiophene-2-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]benzothiophene-2-carboxamide Formula: C25H31N4O3S2+ MolecularWeight: 499.66864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H30N4O3S2/c1-27-13-15-28(16-14-27)22-10-9-20(34(31,32)29-11-5-2-6-12-29)18-21(22)26-25(30)24-17-19-7-3-4-8-23(19)33-24/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3,(H,26,30)/p+1