N-(3-azanyl-3-oxidanylidene-propyl)-3-(3,5-dimethylphenyl)sulfonyl-5-nitro-1H-indole-2-carboxamide

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-3-(3,5-dimethylphenyl)sulfonyl-5-nitro-1H-indole-2-carboxamide Openeye Name: N-(3-amino-3-oxo-propyl)-3-(3,5-dimethylphenyl)sulfonyl-5-nitro-1H-indole-2-carboxamide CAS Name: N-(3-amino-3-oxopropyl)-3-(3,5-dimethylphenyl)sulfonyl-5-nitro-1H-indole-2-carboxamide IUPAC Name: N-(3-amino-3-oxopropyl)-3-(3,5-dimethylphenyl)sulfonyl-5-nitro-1H-indole-2-carboxamide Traditional Name: N-(3-amino-3-keto-propyl)-3-(3,5-dimethylphenyl)sulfonyl-5-nitro-1H-indole-2-carboxamide Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NCCC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NCCC(=O)N)C

InChI

InChI=1S/C20H20N4O6S/c1-11-7-12(2)9-14(8-11)31(29,30)19-15-10-13(24(27)28)3-4-16(15)23-18(19)20(26)22-6-5-17(21)25/h3-4,7-10,23H,5-6H2,1-2H3,(H2,21,25)(H,22,26)