methyl 7-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]heptanoate CAS Name: 7-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]heptanoate Traditional Name: 7-[[4-(2-methylpiperidino)sulfonylbenzoyl]amino]enanthic acid methyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C21H32N2O5S/c1-17-9-6-8-16-23(17)29(26,27)19-13-11-18(12-14-19)21(25)22-15-7-4-3-5-10-20(24)28-2/h11-14,17H,3-10,15-16H2,1-2H3,(H,22,25)