(2R)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H21N3O4S2/c1-14(26-17-6-2-3-13-21(17)23)18(22)19-15-7-9-16(10-8-15)27(24,25)20-11-4-5-12-20/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,19,22)/t14-/m1/s1