N-(2-dimethylaminoethyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-acetylpiperazino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C16H25N5O5S MolecularWeight: 399.4652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O5S/c1-13(22)19-8-10-20(11-9-19)15-5-4-14(12-16(15)21(23)24)27(25,26)17-6-7-18(2)3/h4-5,12,17H,6-11H2,1-3H3