(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H25ClN3O4S2+ MolecularWeight: 459.0025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H24ClN3O4S2/c1-13-11-16(17(27-3)12-15(13)20)21-19(24)14(2)22-6-8-23(9-7-22)29(25,26)18-5-4-10-28-18/h4-5,10-12,14H,6-9H2,1-3H3,(H,21,24)/p+1/t14-/m0/s1