methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate Traditional Name: 4-[[[4-[(2S)-2-methylpiperidino]sulfonylbenzoyl]amino]methyl]benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O5S/c1-16-5-3-4-14-24(16)30(27,28)20-12-10-18(11-13-20)21(25)23-15-17-6-8-19(9-7-17)22(26)29-2/h6-13,16H,3-5,14-15H2,1-2H3,(H,23,25)/t16-/m0/s1