2-[2-[(4-ethoxyphenyl)sulfonyl-(4-methoxyphenyl)amino]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[2-[(4-ethoxyphenyl)sulfonyl-(4-methoxyphenyl)amino]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(N-(4-ethoxyphenyl)sulfonyl-4-methoxy-anilino)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-(N-(4-ethoxyphenyl)sulfonyl-4-methoxyanilino)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-(N-(4-ethoxyphenyl)sulfonyl-4-methoxyanilino)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-(4-methoxy-N-p-phenetylsulfonyl-anilino)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC3=CC=CC=C3CC2C(=O)N)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC3=CC=CC=C3CC2C(=O)N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H29N3O6S/c1-3-36-23-12-14-24(15-13-23)37(33,34)30(21-8-10-22(35-2)11-9-21)18-26(31)29-17-20-7-5-4-6-19(20)16-25(29)27(28)32/h4-15,25H,3,16-18H2,1-2H3,(H2,28,32)