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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S2/c1-28(25,26)23-12-4-5-14-13-15(8-9-17(14)23)20(24)21-11-10-19-22-16-6-2-3-7-18(16)27-19/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,21,24)