3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-benzoate

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-benzoate Openeye Name: 4-(1-piperidyl)-3-(p-tolylsulfonylamino)benzoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]-4-(1-piperidinyl)benzoate IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzoate Traditional Name: 4-piperidino-3-(tosylamino)benzoate Formula: C19H21N2O4S- MolecularWeight: 373.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)[O-])N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H22N2O4S/c1-14-5-8-16(9-6-14)26(24,25)20-17-13-15(19(22)23)7-10-18(17)21-11-3-2-4-12-21/h5-10,13,20H,2-4,11-12H2,1H3,(H,22,23)/p-1