dimethyl-[[4-[[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]methyl]benzyl]ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=C(C=C3)C[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=C(C=C3)C[NH+](C)C

InChI

InChI=1S/C23H31N3O3S/c1-18-7-12-21(30(28,29)26-13-5-4-6-14-26)15-22(18)23(27)24-16-19-8-10-20(11-9-19)17-25(2)3/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,24,27)/p+1