cyclohexyl-methyl-[[2-[[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]amino]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]amino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]amino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]phenyl]methyl]azanium Traditional Name: cyclohexyl-[2-[[2-keto-2-(4-piperidinosulfonylanilino)ethyl]amino]benzyl]-methyl-ammonium Formula: C27H39N4O3S+ MolecularWeight: 499.68856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4CCCCC4

InChI

InChI=1S/C27H38N4O3S/c1-30(24-11-4-2-5-12-24)21-22-10-6-7-13-26(22)28-20-27(32)29-23-14-16-25(17-15-23)35(33,34)31-18-8-3-9-19-31/h6-7,10,13-17,24,28H,2-5,8-9,11-12,18-21H2,1H3,(H,29,32)/p+1