3-[(1-methylcyclohexyl)sulfamoyl]-4-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(1-methylcyclohexyl)sulfamoyl]-4-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(1-methylcyclohexyl)sulfamoyl]-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 3-[(1-methylcyclohexyl)sulfamoyl]-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(1-methylcyclohexyl)sulfamoyl]-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(1-methylcyclohexyl)sulfamoyl]-4-(4-methylpiperazino)benzoic acid Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

Isomeric SMILES

CC1(CCCCC1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

InChI

InChI=1S/C19H29N3O4S/c1-19(8-4-3-5-9-19)20-27(25,26)17-14-15(18(23)24)6-7-16(17)22-12-10-21(2)11-13-22/h6-7,14,20H,3-5,8-13H2,1-2H3,(H,23,24)