diethyl-[[4-[[(3-morpholin-4-ylsulfonylthiophen-2-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(3-morpholin-4-ylsulfonylthiophen-2-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[(3-morpholinosulfonylthiophene-2-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[[3-(4-morpholinylsulfonyl)-2-thiophenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(3-morpholinosulfonylthiophene-2-carbonyl)amino]methyl]benzyl]ammonium Formula: C21H30N3O4S2+ MolecularWeight: 452.6106

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C=CS2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C=CS2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H29N3O4S2/c1-3-23(4-2)16-18-7-5-17(6-8-18)15-22-21(25)20-19(9-14-29-20)30(26,27)24-10-12-28-13-11-24/h5-9,14H,3-4,10-13,15-16H2,1-2H3,(H,22,25)/p+1