[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: [2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-cyclohexyl-methylammonium IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-cyclohexyl-methylazanium Traditional Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]-cyclohexyl-methyl-ammonium Formula: C22H36N3O4S+ MolecularWeight: 438.60394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)C3CCCCC3

Isomeric SMILES

C[NH+](CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)C3CCCCC3

InChI

InChI=1S/C22H35N3O4S/c1-24(18-10-6-5-7-11-18)17-22(26)23-20-16-19(12-13-21(20)29-2)30(27,28)25-14-8-3-4-9-15-25/h12-13,16,18H,3-11,14-15,17H2,1-2H3,(H,23,26)/p+1