methyl 3-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-4-methylbenzoate Traditional Name: 3-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-4-methyl-benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23ClN2O5S/c1-14-6-7-16(21(26)29-2)12-18(14)23-20(25)15-8-9-17(22)19(13-15)30(27,28)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)