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

Systemtic Name: [2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-benzyl-ethyl-ammonium CAS Name: [2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-benzyl-ethylazanium Traditional Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-benzyl-ethyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-2-25(18-20-10-6-5-7-11-20)19-23(27)24-21-12-14-22(15-13-21)30(28,29)26-16-8-3-4-9-17-26/h5-7,10-15H,2-4,8-9,16-19H2,1H3,(H,24,27)/p+1