propan-2-yl 4-[[(3S)-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[(3S)-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[(3S)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(3S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-[(5-methyl-2-thienyl)sulfonyl]nipecotoyl]amino]benzoic acid isopropyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C21H26N2O5S2/c1-14(2)28-21(25)16-7-9-18(10-8-16)22-20(24)17-5-4-12-23(13-17)30(26,27)19-11-6-15(3)29-19/h6-11,14,17H,4-5,12-13H2,1-3H3,(H,22,24)/t17-/m0/s1