(1S)-6,7-dimethoxy-1-thiophen-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (1S)-6,7-dimethoxy-1-thiophen-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: (1S)-6,7-dimethoxy-1-(2-thienyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: (1S)-6,7-dimethoxy-1-thiophen-2-yl-2-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: (1S)-6,7-dimethoxy-1-thiophen-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: (1S)-6,7-dimethoxy-1-(2-thienyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC3=CC(=C(C=C3[C@H]2C4=CC=CS4)OC)OC

InChI

InChI=1S/C21H25N3O4S2/c1-13-21(14(2)23(3)22-13)30(25,26)24-9-8-15-11-17(27-4)18(28-5)12-16(15)20(24)19-7-6-10-29-19/h6-7,10-12,20H,8-9H2,1-5H3/t20-/m0/s1