azocan-1-yl-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: azocan-1-yl-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: azocan-1-yl-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: 1-azocanyl-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: azocan-1-yl-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: azocan-1-yl-[(3S)-2-esyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCCCCC3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCCCCCC3

InChI

InChI=1S/C19H28N2O3S/c1-2-25(23,24)21-15-17-11-7-6-10-16(17)14-18(21)19(22)20-12-8-4-3-5-9-13-20/h6-7,10-11,18H,2-5,8-9,12-15H2,1H3/t18-/m0/s1