N-(cyclopropylmethoxy)-2-[(4-iodanyl-2-methyl-phenyl)amino]-4-nitro-benzenesulfonamide

Systemtic Name: N-(cyclopropylmethoxy)-2-[(4-iodanyl-2-methyl-phenyl)amino]-4-nitro-benzenesulfonamide Openeye Name: N-(cyclopropylmethoxy)-2-(4-iodo-2-methyl-anilino)-4-nitro-benzenesulfonamide CAS Name: N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-nitrobenzenesulfonamide IUPAC Name: N-(cyclopropylmethoxy)-2-(4-iodo-2-methylanilino)-4-nitrobenzenesulfonamide Traditional Name: N-(cyclopropylmethoxy)-2-(4-iodo-2-methyl-anilino)-4-nitro-benzenesulfonamide Formula: C17H18IN3O5S MolecularWeight: 503.31139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)NOCC3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)NOCC3CC3

InChI

InChI=1S/C17H18IN3O5S/c1-11-8-13(18)4-6-15(11)19-16-9-14(21(22)23)5-7-17(16)27(24,25)20-26-10-12-2-3-12/h4-9,12,19-20H,2-3,10H2,1H3