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

Systemtic Name: 2-[4-[4-(hexoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-[4-(hexoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[4-[4-[[hexoxy(oxo)methyl]amino]phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-[4-(hexoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-[4-(hexoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C29H32N2O6S MolecularWeight: 536.63918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)O

Isomeric SMILES

CCCCCCOC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)O

InChI

InChI=1S/C29H32N2O6S/c1-2-3-4-7-18-37-29(34)30-25-14-10-21(11-15-25)22-12-16-26(17-13-22)38(35,36)31-20-24-9-6-5-8-23(24)19-27(31)28(32)33/h5-6,8-17,27H,2-4,7,18-20H2,1H3,(H,30,34)(H,32,33)