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

Systemtic Name: methyl 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-benzoate Openeye Name: methyl 4-(1-piperidyl)-3-(p-tolylsulfonylamino)benzoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]-4-(1-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzoate Traditional Name: 4-piperidino-3-(tosylamino)benzoic acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCCC3

InChI

InChI=1S/C20H24N2O4S/c1-15-6-9-17(10-7-15)27(24,25)21-18-14-16(20(23)26-2)8-11-19(18)22-12-4-3-5-13-22/h6-11,14,21H,3-5,12-13H2,1-2H3