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

Systemtic Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[(1S)-1-p-phenetylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](C)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-4-27-19-10-7-16(8-11-19)15(2)22-21(24)18-9-12-20-17(14-18)6-5-13-23(20)28(3,25)26/h7-12,14-15H,4-6,13H2,1-3H3,(H,22,24)/t15-/m0/s1