N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3O3S2/c1-33(30,31)28-14-4-5-18-16-19(10-13-22(18)28)25(29)26-20-11-8-17(9-12-20)15-24-27-21-6-2-3-7-23(21)32-24/h2-3,6-13,16H,4-5,14-15H2,1H3,(H,26,29)