3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]propyl-cyclohexyl-azanium

Systemtic Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]propyl-cyclohexyl-azanium Openeye Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]propyl-cyclohexyl-ammonium CAS Name: 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]propyl-cyclohexylammonium IUPAC Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]propyl-cyclohexylazanium Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]propyl-cyclohexyl-ammonium Formula: C22H35ClN3O3S+ MolecularWeight: 457.0496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34ClN3O3S/c23-20-12-11-18(17-21(20)30(28,29)26-15-6-1-2-7-16-26)22(27)25-14-8-13-24-19-9-4-3-5-10-19/h11-12,17,19,24H,1-10,13-16H2,(H,25,27)/p+1