2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrate

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrate Openeye Name: 2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrate CAS Name: 2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrate IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrate Traditional Name: 2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrate Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2.O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2.O

InChI

InChI=1S/C16H17NO3S.H2O/c1-20-15-6-8-16(9-7-15)21(18,19)17-11-10-13-4-2-3-5-14(13)12-17;/h2-9H,10-12H2,1H3;1H2