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

Systemtic Name: 2-chloranyl-7-methoxy-3-[(3S)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-7-methoxy-3-[(3S)-2-methylsulfonyl-5-(2-thienyl)-1,3-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-7-methoxy-3-[(3S)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-7-methoxy-3-[(3S)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-3-[(3S)-2-mesyl-5-(2-thienyl)-3-pyrazolin-3-yl]-7-methoxy-quinoline Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C3C=C(NN3S(=O)(=O)C)C4=CC=CS4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)[C@@H]3C=C(NN3S(=O)(=O)C)C4=CC=CS4)Cl

InChI

InChI=1S/C18H16ClN3O3S2/c1-25-12-6-5-11-8-13(18(19)20-14(11)9-12)16-10-15(17-4-3-7-26-17)21-22(16)27(2,23)24/h3-10,16,21H,1-2H3/t16-/m0/s1