methyl 3-(4-azanyl-4-azanylidene-butyl)-5-naphthalen-1-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-1-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-(1-naphthylsulfonyl)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-1-carboxylate CAS Name: 3-(4-amino-4-iminobutyl)-5-(1-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-1-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-(1-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=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)N1C2CN(CC2C(C1=O)CCCC(=N)N)S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

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