N-[2-[(3-methylphenyl)amino]-5-nitro-phenyl]sulfonylazepane-1-carboxamide

Systemtic Name: N-[2-[(3-methylphenyl)amino]-5-nitro-phenyl]sulfonylazepane-1-carboxamide Openeye Name: N-[2-(3-methylanilino)-5-nitro-phenyl]sulfonylazepane-1-carboxamide CAS Name: N-[2-(3-methylanilino)-5-nitrophenyl]sulfonyl-1-azepanecarboxamide IUPAC Name: N-[2-(3-methylanilino)-5-nitrophenyl]sulfonylazepane-1-carboxamide Traditional Name: N-[2-(m-toluidino)-5-nitro-phenyl]sulfonylazepane-1-carboxamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N4O5S/c1-15-7-6-8-16(13-15)21-18-10-9-17(24(26)27)14-19(18)30(28,29)22-20(25)23-11-4-2-3-5-12-23/h6-10,13-14,21H,2-5,11-12H2,1H3,(H,22,25)