butyl (2S)-5-[bis(azanyl)methylideneamino]-2-[(5-nitronaphthalen-1-yl)sulfonylamino]pentanoate

Systemtic Name: butyl (2S)-5-[bis(azanyl)methylideneamino]-2-[(5-nitronaphthalen-1-yl)sulfonylamino]pentanoate Openeye Name: butyl (2S)-5-guanidino-2-[(5-nitro-1-naphthyl)sulfonylamino]pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-[(5-nitro-1-naphthalenyl)sulfonylamino]pentanoic acid butyl ester IUPAC Name: butyl (2S)-5-(diaminomethylideneamino)-2-[(5-nitronaphthalen-1-yl)sulfonylamino]pentanoate Traditional Name: (2S)-5-guanidino-2-[(5-nitro-1-naphthyl)sulfonylamino]valeric acid butyl ester Formula: C20H27N5O6S MolecularWeight: 465.52328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O6S/c1-2-3-13-31-19(26)16(9-6-12-23-20(21)22)24-32(29,30)18-11-5-7-14-15(18)8-4-10-17(14)25(27)28/h4-5,7-8,10-11,16,24H,2-3,6,9,12-13H2,1H3,(H4,21,22,23)/t16-/m0/s1