2-(4-methoxyphenyl)sulfonyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-thienylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-thiophenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-thenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S2/c1-28-19-6-8-20(9-7-19)30(26,27)24-14-18-5-3-2-4-17(18)12-21(24)22(25)23-13-16-10-11-29-15-16/h2-11,15,21H,12-14H2,1H3,(H,23,25)