2-azanyl-3-(4-methylsulfonylphenyl)-4-prop-2-enoyl-benzenesulfonamide dihydrochloride

Systemtic Name: 2-azanyl-3-(4-methylsulfonylphenyl)-4-prop-2-enoyl-benzenesulfonamide dihydrochloride Openeye Name: 2-amino-3-(4-methylsulfonylphenyl)-4-prop-2-enoyl-benzenesulfonamide dihydrochloride CAS Name: 2-amino-3-(4-methylsulfonylphenyl)-4-(1-oxoprop-2-enyl)benzenesulfonamide dihydrochloride IUPAC Name: 2-amino-3-(4-methylsulfonylphenyl)-4-prop-2-enoylbenzenesulfonamide dihydrochloride Traditional Name: 4-acryloyl-2-amino-3-(4-mesylphenyl)benzenesulfonamide dihydrochloride Formula: C16H18Cl2N2O5S2 MolecularWeight: 453.36052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2N)S(=O)(=O)N)C(=O)C=C.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2N)S(=O)(=O)N)C(=O)C=C.Cl.Cl

InChI

InChI=1S/C16H16N2O5S2.2ClH/c1-3-13(19)12-8-9-14(25(18,22)23)16(17)15(12)10-4-6-11(7-5-10)24(2,20)21;;/h3-9H,1,17H2,2H3,(H2,18,22,23);2*1H