2-[di(propan-2-yl)amino]-4-methyl-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-[di(propan-2-yl)amino]-4-methyl-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-(diisopropylamino)-4-methyl-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-[di(propan-2-yl)amino]-4-methyl-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-[di(propan-2-yl)amino]-4-methyl-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-(diisopropylamino)-4-methyl-5-piperidinosulfonyl-benzoic acid Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)N(C(C)C)C(C)C)C(=O)O)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C(=C1)N(C(C)C)C(C)C)C(=O)O)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H30N2O4S/c1-13(2)21(14(3)4)17-11-15(5)18(12-16(17)19(22)23)26(24,25)20-9-7-6-8-10-20/h11-14H,6-10H2,1-5H3,(H,22,23)