2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethyl 6-[[1-methyl-4-(methylamino)pyrrol-2-yl]carbonylamino]hexanoate

Systemtic Name: 2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethyl 6-[[1-methyl-4-(methylamino)pyrrol-2-yl]carbonylamino]hexanoate Openeye Name: 2-[(4-phenylazophenyl)methylsulfanyl]ethyl 6-[[1-methyl-4-(methylamino)pyrrole-2-carbonyl]amino]hexanoate CAS Name: 6-[[[1-methyl-4-(methylamino)-2-pyrrolyl]-oxomethyl]amino]hexanoic acid 2-[(4-phenyldiazenylphenyl)methylthio]ethyl ester IUPAC Name: 2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethyl 6-[[1-methyl-4-(methylamino)pyrrole-2-carbonyl]amino]hexanoate Traditional Name: 6-[[1-methyl-4-(methylamino)pyrrole-2-carbonyl]amino]hexanoic acid 2-[(4-phenylazobenzyl)thio]ethyl ester Formula: C28H35N5O3S MolecularWeight: 521.6742

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CN(C(=C1)C(=O)NCCCCCC(=O)OCCSCC2=CC=C(C=C2)N=NC3=CC=CC=C3)C

Isomeric SMILES

CNC1=CN(C(=C1)C(=O)NCCCCCC(=O)OCCSCC2=CC=C(C=C2)N=NC3=CC=CC=C3)C

InChI

InChI=1S/C28H35N5O3S/c1-29-25-19-26(33(2)20-25)28(35)30-16-8-4-7-11-27(34)36-17-18-37-21-22-12-14-24(15-13-22)32-31-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,19-20,29H,4,7-8,11,16-18,21H2,1-2H3,(H,30,35)