N-butan-2-yl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-butan-2-yl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-methylsulfonyl-N-sec-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-butan-2-yl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-butan-2-yl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-mesyl-N-sec-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C

Isomeric SMILES

CCC(C)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C

InChI

InChI=1S/C15H22N2O3S/c1-4-11(2)16-15(18)14-9-12-7-5-6-8-13(12)10-17(14)21(3,19)20/h5-8,11,14H,4,9-10H2,1-3H3,(H,16,18)