2-(4-methoxyphenyl)sulfonyl-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride Openeye Name: 2-(4-methoxyphenyl)sulfonyl-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride CAS Name: 2-(4-methoxyphenyl)sulfonyl-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride Traditional Name: N-(4-mesylbenzyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride Formula: C25H27ClN2O6S2 MolecularWeight: 551.07468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=C(C=C4)S(=O)(=O)C.Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=C(C=C4)S(=O)(=O)C.Cl

InChI

InChI=1S/C25H26N2O6S2.ClH/c1-33-21-9-13-23(14-10-21)35(31,32)27-17-20-6-4-3-5-19(20)15-24(27)25(28)26-16-18-7-11-22(12-8-18)34(2,29)30;/h3-14,24H,15-17H2,1-2H3,(H,26,28);1H