[(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-methoxyethyl)azanium

Systemtic Name: [(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-methoxyethyl)azanium Openeye Name: [(1S)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl]-(2-methoxyethyl)ammonium CAS Name: [(2S)-1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl]-(2-methoxyethyl)ammonium IUPAC Name: [(2S)-1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl]-(2-methoxyethyl)azanium Traditional Name: [(1S)-2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl]-(2-methoxyethyl)ammonium Formula: C17H27ClN3O4S+ MolecularWeight: 404.93198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)[NH2+]CCOC

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)[NH2+]CCOC

InChI

InChI=1S/C17H26ClN3O4S/c1-13(19-8-11-25-2)17(22)20-16-12-14(6-7-15(16)18)26(23,24)21-9-4-3-5-10-21/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,20,22)/p+1/t13-/m0/s1