6-azanyl-7-ethoxy-4-[[1-(phenylsulfonyl)indol-5-yl]amino]quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-7-ethoxy-4-[[1-(phenylsulfonyl)indol-5-yl]amino]quinoline-3-carbonitrile Openeye Name: 6-amino-4-[[1-(benzenesulfonyl)indol-5-yl]amino]-7-ethoxy-quinoline-3-carbonitrile CAS Name: 6-amino-4-[[1-(benzenesulfonyl)-5-indolyl]amino]-7-ethoxy-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-[[1-(benzenesulfonyl)indol-5-yl]amino]-7-ethoxyquinoline-3-carbonitrile Traditional Name: 6-amino-4-[(1-besylindol-5-yl)amino]-7-ethoxy-quinoline-3-carbonitrile Formula: C26H21N5O3S MolecularWeight: 483.54164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5)C#N)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5)C#N)N

InChI

InChI=1S/C26H21N5O3S/c1-2-34-25-14-23-21(13-22(25)28)26(18(15-27)16-29-23)30-19-8-9-24-17(12-19)10-11-31(24)35(32,33)20-6-4-3-5-7-20/h3-14,16H,2,28H2,1H3,(H,29,30)