[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-benzyl-methylazanium Traditional Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-benzyl-methyl-ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-24(17-19-9-5-4-6-10-19)18-22(26)23-20-11-13-21(14-12-20)29(27,28)25-15-7-2-3-8-16-25/h4-6,9-14H,2-3,7-8,15-18H2,1H3,(H,23,26)/p+1