(3S)-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-[3-(pivaloylamino)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=CC=C3)NC(=O)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC(=CC=C3)NC(=O)C(C)(C)C

InChI

InChI=1S/C23H29N3O4S/c1-5-31(29,30)26-15-17-10-7-6-9-16(17)13-20(26)21(27)24-18-11-8-12-19(14-18)25-22(28)23(2,3)4/h6-12,14,20H,5,13,15H2,1-4H3,(H,24,27)(H,25,28)/t20-/m0/s1