tert-butyl-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: tert-butyl-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: tert-butyl-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: tert-butyl-[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: tert-butyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: tert-butyl-[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]ammonium Formula: C18H30N3O3S+ MolecularWeight: 368.5141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH2+]C(C)(C)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH2+]C(C)(C)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H29N3O3S/c1-14-8-9-15(20-17(22)13-19-18(2,3)4)12-16(14)25(23,24)21-10-6-5-7-11-21/h8-9,12,19H,5-7,10-11,13H2,1-4H3,(H,20,22)/p+1