methyl 3-(4-azanyl-4-azanylidene-butyl)-5-naphthalen-2-ylsulfonyl-2-oxidanylidene-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-1-carboxylate

Systemtic Name: methyl 3-(4-azanyl-4-azanylidene-butyl)-5-naphthalen-2-ylsulfonyl-2-oxidanylidene-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-1-carboxylate Openeye Name: methyl 3-(4-amino-4-imino-butyl)-5-(2-naphthylsulfonyl)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-1-carboxylate CAS Name: 3-(4-amino-4-iminobutyl)-5-(2-naphthalenylsulfonyl)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-1-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-amino-4-iminobutyl)-5-naphthalen-2-ylsulfonyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-1-carboxylate Traditional Name: 3-(4-amino-4-imino-butyl)-2-keto-5-(2-naphthylsulfonyl)-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-1-carboxylic acid methyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2CN(CC2C(C1=O)CCCC(=N)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)N1C2CN(CC2C(C1=O)CCCC(=N)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H26N4O5S/c1-31-22(28)26-19-13-25(12-18(19)17(21(26)27)7-4-8-20(23)24)32(29,30)16-10-9-14-5-2-3-6-15(14)11-16/h2-3,5-6,9-11,17-19H,4,7-8,12-13H2,1H3,(H3,23,24)