[(2S)-butan-2-yl]-[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C18H30N3O4S+ MolecularWeight: 384.5135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S/c1-4-14(2)19-13-18(22)20-16-12-15(8-9-17(16)25-3)26(23,24)21-10-6-5-7-11-21/h8-9,12,14,19H,4-7,10-11,13H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1