(2R)-N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C18H21N4O3S2+ MolecularWeight: 405.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N4O3S2/c1-14(18(23)20-16-6-4-15(13-19)5-7-16)21-8-10-22(11-9-21)27(24,25)17-3-2-12-26-17/h2-7,12,14H,8-11H2,1H3,(H,20,23)/p+1/t14-/m1/s1