3-[3-[(4-fluorophenyl)sulfonylamino]-6-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid hydrochloride

Systemtic Name: 3-[3-[(4-fluorophenyl)sulfonylamino]-6-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid hydrochloride Openeye Name: 3-[3-[(4-fluorophenyl)sulfonylamino]-6-(3-pyridylmethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid hydrochloride CAS Name: 3-[3-[(4-fluorophenyl)sulfonylamino]-6-(3-pyridinylmethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid hydrochloride IUPAC Name: 3-[3-[(4-fluorophenyl)sulfonylamino]-6-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid hydrochloride Traditional Name: 3-[3-[(4-fluorophenyl)sulfonylamino]-6-(3-pyridylmethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]propionic acid hydrochloride Formula: C27H27ClFN3O4S MolecularWeight: 544.037383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=C(N2CCC(=O)O)C=CC(=C4)CC5=CN=CC=C5.Cl

Isomeric SMILES

C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=C(N2CCC(=O)O)C=CC(=C4)CC5=CN=CC=C5.Cl

InChI

InChI=1S/C27H26FN3O4S.ClH/c28-20-4-7-22(8-5-20)36(34,35)30-21-6-10-26-24(16-21)23-15-18(14-19-2-1-12-29-17-19)3-9-25(23)31(26)13-11-27(32)33;/h1-5,7-9,12,15,17,21,30H,6,10-11,13-14,16H2,(H,32,33);1H