2-[4-[methoxy(methyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[methoxy(methyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[methoxy(methyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[methoxy(methyl)sulfamoyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[methoxy(methyl)sulfamoyl]-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[methoxy(methyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(C)OC)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(C)OC)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

InChI

InChI=1S/C23H30N2O5S/c1-17-16-20(31(28,29)24(2)30-3)11-13-21(17)22(23(26)27)12-8-18-6-9-19(10-7-18)25-14-4-5-15-25/h6-7,9-11,13,16,22H,4-5,8,12,14-15H2,1-3H3,(H,26,27)