7-[[1-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-oxidanylidene-2-(phenylsulfonylamino)ethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 7-[[1-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-oxidanylidene-2-(phenylsulfonylamino)ethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[[2-(benzenesulfonamido)-1-(3-ethoxy-4-isopropoxy-phenyl)-2-oxo-ethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[[2-(benzenesulfonamido)-1-(3-ethoxy-4-propan-2-yloxyphenyl)-2-oxoethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[[2-(benzenesulfonamido)-1-(3-ethoxy-4-propan-2-yloxyphenyl)-2-oxoethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[[2-(benzenesulfonamido)-1-(3-ethoxy-4-isopropoxy-phenyl)-2-keto-ethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C29H33N3O7S MolecularWeight: 567.65322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC=CC=C2)NC3=CC4=C(CCN(C4)C(=O)O)C=C3)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC=CC=C2)NC3=CC4=C(CCN(C4)C(=O)O)C=C3)OC(C)C

InChI

InChI=1S/C29H33N3O7S/c1-4-38-26-17-21(11-13-25(26)39-19(2)3)27(28(33)31-40(36,37)24-8-6-5-7-9-24)30-23-12-10-20-14-15-32(29(34)35)18-22(20)16-23/h5-13,16-17,19,27,30H,4,14-15,18H2,1-3H3,(H,31,33)(H,34,35)