N-[(2S)-butan-2-yl]-2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-methylpropyl]-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-2-oxo-6-(1-pyrrolidinylsulfonyl)-1H-quinoline-4-carboxamide IUPAC Name: N-[(2S)-butan-2-yl]-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[(1S)-1-methylpropyl]-6-pyrrolidinosulfonyl-1H-quinoline-4-carboxamide Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H23N3O4S/c1-3-12(2)19-18(23)15-11-17(22)20-16-7-6-13(10-14(15)16)26(24,25)21-8-4-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,23)(H,20,22)/t12-/m0/s1