N-[(3S)-2-oxidanylidene-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]quinoline-7-sulfonamide

Systemtic Name: N-[(3S)-2-oxidanylidene-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]quinoline-7-sulfonamide Openeye Name: N-[(3S)-1-(1-isopropyl-4-piperidyl)-2-oxo-pyrrolidin-3-yl]quinoline-7-sulfonamide CAS Name: N-[(3S)-2-oxo-1-(1-propan-2-yl-4-piperidinyl)-3-pyrrolidinyl]-7-quinolinesulfonamide IUPAC Name: N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]quinoline-7-sulfonamide Traditional Name: N-[(3S)-1-(1-isopropyl-4-piperidyl)-2-keto-pyrrolidin-3-yl]quinoline-7-sulfonamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)N2CCC(C2=O)NS(=O)(=O)C3=CC4=C(C=CC=N4)C=C3

Isomeric SMILES

CC(C)N1CCC(CC1)N2CC[C@@H](C2=O)NS(=O)(=O)C3=CC4=C(C=CC=N4)C=C3

InChI

InChI=1S/C21H28N4O3S/c1-15(2)24-11-7-17(8-12-24)25-13-9-19(21(25)26)23-29(27,28)18-6-5-16-4-3-10-22-20(16)14-18/h3-6,10,14-15,17,19,23H,7-9,11-13H2,1-2H3/t19-/m0/s1