N-(3-azanylpropyl)-4-(2-chloranyl-6-nitro-phenoxy)-N-methyl-benzenesulfonamide

Systemtic Name: N-(3-azanylpropyl)-4-(2-chloranyl-6-nitro-phenoxy)-N-methyl-benzenesulfonamide Openeye Name: N-(3-aminopropyl)-4-(2-chloro-6-nitro-phenoxy)-N-methyl-benzenesulfonamide CAS Name: N-(3-aminopropyl)-4-(2-chloro-6-nitrophenoxy)-N-methylbenzenesulfonamide IUPAC Name: N-(3-aminopropyl)-4-(2-chloro-6-nitrophenoxy)-N-methylbenzenesulfonamide Traditional Name: N-(3-aminopropyl)-4-(2-chloro-6-nitro-phenoxy)-N-methyl-benzenesulfonamide Formula: C16H18ClN3O5S MolecularWeight: 399.84922

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN)S(=O)(=O)C1=CC=C(C=C1)OC2=C(C=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CCCN)S(=O)(=O)C1=CC=C(C=C1)OC2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O5S/c1-19(11-3-10-18)26(23,24)13-8-6-12(7-9-13)25-16-14(17)4-2-5-15(16)20(21)22/h2,4-9H,3,10-11,18H2,1H3