3-[(E)-(2-azanyl-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]phenol

Systemtic Name: 3-[(E)-(2-azanyl-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]phenol Openeye Name: 3-[(E)-[2-amino-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]phenol CAS Name: 3-[(E)-(2-amino-3-thiophen-2-ylsulfonyl-1-pyrrolo[3,2-b]quinoxalinyl)iminomethyl]phenol IUPAC Name: 3-[(E)-(2-amino-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]phenol Traditional Name: 3-[(E)-[2-amino-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]phenol Formula: C21H15N5O3S2 MolecularWeight: 449.5055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)N=CC4=CC(=CC=C4)O)N)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)/N=C/C4=CC(=CC=C4)O)N)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H15N5O3S2/c22-20-19(31(28,29)17-9-4-10-30-17)18-21(25-16-8-2-1-7-15(16)24-18)26(20)23-12-13-5-3-6-14(27)11-13/h1-12,27H,22H2/b23-12+