ethyl (3S)-1-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-piperidinosulfonylanilino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H32N3O5S+ MolecularWeight: 438.56088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H31N3O5S/c1-2-29-21(26)17-7-6-12-23(15-17)16-20(25)22-18-8-10-19(11-9-18)30(27,28)24-13-4-3-5-14-24/h8-11,17H,2-7,12-16H2,1H3,(H,22,25)/p+1/t17-/m0/s1