[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-cyclopropyl-(2-methylpropyl)azanium

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-cyclopropyl-(2-methylpropyl)azanium Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]-cyclopropyl-isobutyl-ammonium CAS Name: [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-cyclopropyl-(2-methylpropyl)ammonium IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-cyclopropyl-(2-methylpropyl)azanium Traditional Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]-cyclopropyl-isobutyl-ammonium Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](CC(C)C)C2CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](CC(C)C)C2CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-17(2)15-24(20-10-11-20)16-22(26)23-19-9-8-18(3)21(14-19)29(27,28)25-12-6-4-5-7-13-25/h8-9,14,17,20H,4-7,10-13,15-16H2,1-3H3,(H,23,26)/p+1