N-[bis(azanyl)methylidene]-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-1-tosyl-2,3-dihydro-1-benzazepine-4-carboxamide; mesylic acid Formula: C20H24N4O6S2 MolecularWeight: 480.55776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC3=CC=CC=C32)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC3=CC=CC=C32)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C19H20N4O3S.CH4O3S/c1-13-6-8-16(9-7-13)27(25,26)23-11-10-15(18(24)22-19(20)21)12-14-4-2-3-5-17(14)23;1-5(2,3)4/h2-9,12H,10-11H2,1H3,(H4,20,21,22,24);1H3,(H,2,3,4)