(3S)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-methylpiperazin-4-ium-1-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(4-methyl-1-piperazin-4-iumyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-methylpiperazin-4-ium-1-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C15H25N4O3S2+ MolecularWeight: 373.514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H24N4O3S2/c1-17-7-9-18(10-8-17)16-15(20)13-4-2-6-19(12-13)24(21,22)14-5-3-11-23-14/h3,5,11,13H,2,4,6-10,12H2,1H3,(H,16,20)/p+1/t13-/m0/s1