2-chloranyl-7-ethoxy-3-[(3S)-5-(furan-2-yl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-7-ethoxy-3-[(3S)-5-(furan-2-yl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-7-ethoxy-3-[(3S)-5-(2-furyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-7-ethoxy-3-[(3S)-5-(2-furanyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-7-ethoxy-3-[(3S)-5-(furan-2-yl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-7-ethoxy-3-[(3S)-5-(2-furyl)-2-mesyl-3-pyrazolin-3-yl]quinoline Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3C=C(NN3S(=O)(=O)C)C4=CC=CO4)Cl

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)[C@@H]3C=C(NN3S(=O)(=O)C)C4=CC=CO4)Cl

InChI

InChI=1S/C19H18ClN3O4S/c1-3-26-13-7-6-12-9-14(19(20)21-15(12)10-13)17-11-16(18-5-4-8-27-18)22-23(17)28(2,24)25/h4-11,17,22H,3H2,1-2H3/t17-/m0/s1