N-(2-dimethylaminoethyl)-4-[3-(3-methylphenoxy)propylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[3-(3-methylphenoxy)propylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[3-(3-methylphenoxy)propylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[3-(3-methylphenoxy)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[3-(3-methylphenoxy)propylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[3-(3-methylphenoxy)propylamino]-3-nitro-benzenesulfonamide Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O5S/c1-16-6-4-7-17(14-16)29-13-5-10-21-19-9-8-18(15-20(19)24(25)26)30(27,28)22-11-12-23(2)3/h4,6-9,14-15,21-22H,5,10-13H2,1-3H3