N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-thiophen-2-yl-propanamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-thiophen-2-yl-propanamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3-(2-thienyl)propanamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-3-thiophen-2-ylpropanamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-thiophen-2-ylpropanamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-3-(2-thienyl)propionamide Formula: C23H33N4O3S2+ MolecularWeight: 477.66312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CCC4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CCC4=CC=CS4

InChI

InChI=1S/C23H32N4O3S2/c1-25-13-15-26(16-14-25)22-9-8-20(32(29,30)27-11-3-2-4-12-27)18-21(22)24-23(28)10-7-19-6-5-17-31-19/h5-6,8-9,17-18H,2-4,7,10-16H2,1H3,(H,24,28)/p+1