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

Systemtic Name: butyl (2S)-5-[bis(azanyl)methylideneamino]-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]pentanoate Openeye Name: butyl (2S)-5-guanidino-2-[(7-methoxy-2-naphthyl)sulfonylamino]pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-[(7-methoxy-2-naphthalenyl)sulfonylamino]pentanoic acid butyl ester IUPAC Name: butyl (2S)-5-(diaminomethylideneamino)-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]pentanoate Traditional Name: (2S)-5-guanidino-2-[(7-methoxy-2-naphthyl)sulfonylamino]valeric acid butyl ester Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5S/c1-3-4-12-30-20(26)19(6-5-11-24-21(22)23)25-31(27,28)18-10-8-15-7-9-17(29-2)13-16(15)14-18/h7-10,13-14,19,25H,3-6,11-12H2,1-2H3,(H4,22,23,24)/t19-/m0/s1