2-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophen-2-yl]carbonylamino]benzoate

Systemtic Name: 2-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophen-2-yl]carbonylamino]benzoate Openeye Name: 2-[[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]thiophene-2-carbonyl]amino]benzoate CAS Name: 2-[[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-thiophenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbonyl]amino]benzoate Traditional Name: 2-[[4-[(3S)-3-methylpiperidino]sulfonylthiophene-2-carbonyl]amino]benzoate Formula: C18H19N2O5S2- MolecularWeight: 407.48386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H20N2O5S2/c1-12-5-4-8-20(10-12)27(24,25)13-9-16(26-11-13)17(21)19-15-7-3-2-6-14(15)18(22)23/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,19,21)(H,22,23)/p-1/t12-/m0/s1