N-[2-[(2S)-butan-2-yl]phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[2-[(1S)-1-methylpropyl]phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[2-[(1S)-1-methylpropyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O3S/c1-4-15(2)18-9-5-6-10-19(18)22-21(24)17-11-12-20-16(14-17)8-7-13-23(20)27(3,25)26/h5-6,9-12,14-15H,4,7-8,13H2,1-3H3,(H,22,24)/t15-/m0/s1