1-[(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N,N-dimethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N,N-dimethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl]-N,N-dimethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl]-N,N-dimethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl]-N,N-dimethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl]-N,N-dimethyl-piperidin-1-ium-4-carboxamide Formula: C22H34ClN4O4S+ MolecularWeight: 486.04776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)[NH+]3CCC(CC3)C(=O)N(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)[NH+]3CCC(CC3)C(=O)N(C)C

InChI

InChI=1S/C22H33ClN4O4S/c1-16(26-13-9-17(10-14-26)22(29)25(2)3)21(28)24-20-15-18(7-8-19(20)23)32(30,31)27-11-5-4-6-12-27/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,24,28)/p+1/t16-/m0/s1