ethyl 1-[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H33ClN3O5S+ MolecularWeight: 487.03252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H32ClN3O5S/c1-2-31-22(28)17-9-13-25(14-10-17)16-21(27)24-20-15-18(7-8-19(20)23)32(29,30)26-11-5-3-4-6-12-26/h7-8,15,17H,2-6,9-14,16H2,1H3,(H,24,27)/p+1