2-[3-(benzotriazol-2-yl)-2-methoxy-5-methyl-phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-(benzotriazol-2-yl)-2-methoxy-5-methyl-phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-(benzotriazol-2-yl)-2-methoxy-5-methyl-phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-(2-benzotriazolyl)-2-methoxy-5-methylphenyl]sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-(benzotriazol-2-yl)-2-methoxy-5-methylphenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-(benzotriazol-2-yl)-2-methoxy-5-methyl-phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)OC)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)OC)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C23H22N4O3S/c1-16-13-21(27-24-19-9-5-6-10-20(19)25-27)23(30-2)22(14-16)31(28,29)26-12-11-17-7-3-4-8-18(17)15-26/h3-10,13-14H,11-12,15H2,1-2H3