2-(3,4-dimethoxyphenyl)ethyl-[2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-2-oxoethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl]azanium Traditional Name: homoveratryl-[2-keto-2-(5-morpholinosulfonyl-2-pyrrolidino-anilino)ethyl]ammonium Formula: C26H37N4O6S+ MolecularWeight: 533.66018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)OC

InChI

InChI=1S/C26H36N4O6S/c1-34-24-8-5-20(17-25(24)35-2)9-10-27-19-26(31)28-22-18-21(6-7-23(22)29-11-3-4-12-29)37(32,33)30-13-15-36-16-14-30/h5-8,17-18,27H,3-4,9-16,19H2,1-2H3,(H,28,31)/p+1