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

Systemtic Name: [2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-cyclohexyl-azanium Openeye Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-cyclohexyl-ammonium CAS Name: [2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-cyclohexylammonium IUPAC Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-cyclohexylazanium Traditional Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-cyclohexyl-ammonium Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH2+]C3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH2+]C3CCCCC3

InChI

InChI=1S/C20H31N3O3S/c24-20(16-21-17-8-4-3-5-9-17)22-18-10-12-19(13-11-18)27(25,26)23-14-6-1-2-7-15-23/h10-13,17,21H,1-9,14-16H2,(H,22,24)/p+1