N-[bis(azanyl)methylidene]-1-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-1-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-1-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-1-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-1-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-1-mesyl-8,9-dihydro-7H-benzocycloheptene-6-carboxamide; mesylic acid Formula: C15H21N3O6S2 MolecularWeight: 403.47374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1CCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1CCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C14H17N3O3S.CH4O3S/c1-21(19,20)12-7-3-4-9-8-10(5-2-6-11(9)12)13(18)17-14(15)16;1-5(2,3)4/h3-4,7-8H,2,5-6H2,1H3,(H4,15,16,17,18);1H3,(H,2,3,4)