[2-[4-[(4-phenylphenyl)carbonylamino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] methanesulfonate

Systemtic Name: [2-[4-[(4-phenylphenyl)carbonylamino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] methanesulfonate Openeye Name: [2-[4-[(4-phenylbenzoyl)amino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] methanesulfonate CAS Name: methanesulfonic acid [2-[4-[[oxo-(4-phenylphenyl)methyl]amino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [2-[4-[(4-phenylbenzoyl)amino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-[4-[(4-phenylbenzoyl)amino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(CCN(C2)CCCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C=C1

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(CCN(C2)CCCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C27H30N2O4S/c1-34(31,32)33-26-14-13-23-15-18-29(20-25(23)19-26)17-6-5-16-28-27(30)24-11-9-22(10-12-24)21-7-3-2-4-8-21/h2-4,7-14,19H,5-6,15-18,20H2,1H3,(H,28,30)