1-[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl]piperidin-1-ium-4-carboxamide Formula: C20H31N4O5S+ MolecularWeight: 439.54894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H30N4O5S/c1-29-17-6-5-16(13-18(17)30(27,28)24-9-3-2-4-10-24)22-19(25)14-23-11-7-15(8-12-23)20(21)26/h5-6,13,15H,2-4,7-12,14H2,1H3,(H2,21,26)(H,22,25)/p+1