2-[4-(4-aminocarbonylphenyl)phenyl]sulfonyl-N-propan-2-yloxy-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1-carboxamide

Systemtic Name: 2-[4-(4-aminocarbonylphenyl)phenyl]sulfonyl-N-propan-2-yloxy-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1-carboxamide Openeye Name: 2-[4-(4-carbamoylphenyl)phenyl]sulfonyl-N-isopropoxy-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1-carboxamide CAS Name: 2-[4-(4-carbamoylphenyl)phenyl]sulfonyl-N-propan-2-yloxy-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1-carboxamide IUPAC Name: 2-[4-(4-carbamoylphenyl)phenyl]sulfonyl-N-propan-2-yloxy-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1-carboxamide Traditional Name: 2-[4-(4-carbamoylphenyl)phenyl]sulfonyl-N-isopropoxy-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1-carboxamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)ONC(=O)C1C2=CCCCC2CCN1S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC(C)ONC(=O)C1C2=CCCCC2CCN1S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C26H31N3O5S/c1-17(2)34-28-26(31)24-23-6-4-3-5-20(23)15-16-29(24)35(32,33)22-13-11-19(12-14-22)18-7-9-21(10-8-18)25(27)30/h6-14,17,20,24H,3-5,15-16H2,1-2H3,(H2,27,30)(H,28,31)