[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C20H33ClN4O4S+2 MolecularWeight: 461.01842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH2+]CCC[NH+]3CCOCC3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH2+]CCC[NH+]3CCOCC3

InChI

InChI=1S/C20H31ClN4O4S/c21-18-6-5-17(30(27,28)25-9-2-1-3-10-25)15-19(18)23-20(26)16-22-7-4-8-24-11-13-29-14-12-24/h5-6,15,22H,1-4,7-14,16H2,(H,23,26)/p+2