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

Systemtic Name: (3S)-N-[4-(azepan-1-yl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[4-(azepan-1-yl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[4-(1-azepanyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[4-(azepan-1-yl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[4-(azepan-1-yl)phenyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C24H31N3O3S/c1-2-31(29,30)27-18-20-10-6-5-9-19(20)17-23(27)24(28)25-21-11-13-22(14-12-21)26-15-7-3-4-8-16-26/h5-6,9-14,23H,2-4,7-8,15-18H2,1H3,(H,25,28)/t23-/m0/s1