N-(4-cyanophenyl)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-cyanophenyl)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-cyanophenyl)-3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-cyanophenyl)-3-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-cyanophenyl)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-cyanophenyl)-3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propionamide Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H22N4O3S2/c1-15-2-7-19(27-15)28(25,26)23-12-10-22(11-13-23)9-8-18(24)21-17-5-3-16(14-20)4-6-17/h2-7H,8-13H2,1H3,(H,21,24)/p+1