2-[4-[4-(cyclopropylmethoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[4-[4-(cyclopropylmethoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-[4-(cyclopropylmethoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[4-[4-[[cyclopropylmethoxy(oxo)methyl]amino]phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-[4-(cyclopropylmethoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-[4-(cyclopropylmethoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)N4CC5=CC=CC=C5CC4C(=O)O

Isomeric SMILES

C1CC1COC(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)N4CC5=CC=CC=C5CC4C(=O)O

InChI

InChI=1S/C27H26N2O6S/c30-26(31)25-15-21-3-1-2-4-22(21)16-29(25)36(33,34)24-13-9-20(10-14-24)19-7-11-23(12-8-19)28-27(32)35-17-18-5-6-18/h1-4,7-14,18,25H,5-6,15-17H2,(H,28,32)(H,30,31)