N-(2-dimethylaminoethyl)-4-[(3-methoxyphenyl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[(3-methoxyphenyl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[(3-methoxyphenyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[(3-methoxyphenyl)methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[(3-methoxyphenyl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-(m-anisylamino)-3-nitro-benzenesulfonamide Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O5S/c1-21(2)10-9-20-28(25,26)16-7-8-17(18(12-16)22(23)24)19-13-14-5-4-6-15(11-14)27-3/h4-8,11-12,19-20H,9-10,13H2,1-3H3