tert-butyl-[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: tert-butyl-[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: tert-butyl-[2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: tert-butyl-[2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: tert-butyl-[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: tert-butyl-[2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl]ammonium Formula: C17H27ClN3O3S+ MolecularWeight: 388.93258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3O3S/c1-17(2,3)19-12-16(22)20-15-11-13(7-8-14(15)18)25(23,24)21-9-5-4-6-10-21/h7-8,11,19H,4-6,9-10,12H2,1-3H3,(H,20,22)/p+1