hexyl (2S)-5-[bis(azanyl)methylideneamino]-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]pentanoate

Systemtic Name: hexyl (2S)-5-[bis(azanyl)methylideneamino]-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]pentanoate Openeye Name: hexyl (2S)-5-guanidino-2-[(7-methoxy-2-naphthyl)sulfonylamino]pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-[(7-methoxy-2-naphthalenyl)sulfonylamino]pentanoic acid hexyl ester IUPAC Name: hexyl (2S)-5-(diaminomethylideneamino)-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]pentanoate Traditional Name: (2S)-5-guanidino-2-[(7-methoxy-2-naphthyl)sulfonylamino]valeric acid hexyl ester Formula: C23H34N4O5S MolecularWeight: 478.60486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC2=C(C=CC(=C2)OC)C=C1

Isomeric SMILES

CCCCCCOC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC2=C(C=CC(=C2)OC)C=C1

InChI

InChI=1S/C23H34N4O5S/c1-3-4-5-6-14-32-22(28)21(8-7-13-26-23(24)25)27-33(29,30)20-12-10-17-9-11-19(31-2)15-18(17)16-20/h9-12,15-16,21,27H,3-8,13-14H2,1-2H3,(H4,24,25,26)/t21-/m0/s1