[azanyl-[(3-piperidin-1-ylsulfonylphenyl)amino]methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium

Systemtic Name: [azanyl-[(3-piperidin-1-ylsulfonylphenyl)amino]methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium Openeye Name: [amino-[3-(1-piperidylsulfonyl)anilino]methylene]-(4,6-dimethylpyrimidin-2-yl)ammonium CAS Name: [amino-[3-(1-piperidinylsulfonyl)anilino]methylidene]-(4,6-dimethyl-2-pyrimidinyl)ammonium IUPAC Name: [amino-(3-piperidin-1-ylsulfonylanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium Traditional Name: [amino-(3-piperidinosulfonylanilino)methylene]-(4,6-dimethylpyrimidin-2-yl)ammonium Formula: C18H25N6O2S+ MolecularWeight: 389.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[NH+]=C(N)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)[NH+]=C(N)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C18H24N6O2S/c1-13-11-14(2)21-18(20-13)23-17(19)22-15-7-6-8-16(12-15)27(25,26)24-9-4-3-5-10-24/h6-8,11-12H,3-5,9-10H2,1-2H3,(H3,19,20,21,22,23)/p+1