ethyl 4-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]-3-methyl-benzoate CAS Name: 4-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylbenzoate Traditional Name: 4-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]-3-methyl-benzoic acid ethyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-3-30-22(27)16-7-10-20(15(2)13-16)24-21(26)18-14-17(8-9-19(18)23)31(28,29)25-11-5-4-6-12-25/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,26)