(2S)-N-(3-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(m-tolyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(m-tolyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propionamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H25N3O3S2/c1-14-5-3-6-17(13-14)20-19(23)15(2)22-10-8-16(9-11-22)21-27(24,25)18-7-4-12-26-18/h3-7,12-13,15-16,21H,8-11H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1