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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-3-(3,5-dimethylphenyl)sulfonyl-5-nitro-1H-indole-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-3-(3,5-dimethylphenyl)sulfonyl-5-nitro-1H-indole-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-3-(3,5-dimethylphenyl)sulfonyl-5-nitro-1H-indole-2-carboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-3-(3,5-dimethylphenyl)sulfonyl-5-nitro-1H-indole-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-3-(3,5-dimethylphenyl)sulfonyl-5-nitro-1H-indole-2-carboxamide Formula: C19H18N4O6S MolecularWeight: 430.43442

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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)NCC(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O6S/c1-10-5-11(2)7-13(6-10)30(28,29)18-14-8-12(23(26)27)3-4-15(14)22-17(18)19(25)21-9-16(20)24/h3-8,22H,9H2,1-2H3,(H2,20,24)(H,21,25)