methyl 4-[[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate Traditional Name: 4-[[[4-[(3S)-3-methylpiperidino]sulfonylbenzoyl]amino]methyl]benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O5S/c1-16-4-3-13-24(15-16)30(27,28)20-11-9-18(10-12-20)21(25)23-14-17-5-7-19(8-6-17)22(26)29-2/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,25)/t16-/m0/s1