N-[(2S)-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-methyl-1-(4-methylpiperazin-4-ium-1-carbonyl)propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-3-methyl-1-(4-methyl-1-piperazin-4-iumyl)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(4-methylpiperazin-4-ium-1-carbonyl)propyl]-1-tosyl-isonipecotamide Formula: C23H37N4O4S+ MolecularWeight: 465.62928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C(C)C)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H36N4O4S/c1-17(2)21(23(29)26-15-13-25(4)14-16-26)24-22(28)19-9-11-27(12-10-19)32(30,31)20-7-5-18(3)6-8-20/h5-8,17,19,21H,9-16H2,1-4H3,(H,24,28)/p+1/t21-/m0/s1