methyl 1-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-6-keto-nicotinic acid methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25N3O6S/c1-30-21(27)16-9-10-20(26)23(14-16)15-19(25)22-17-7-6-8-18(13-17)31(28,29)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12,15H2,1H3,(H,22,25)