N-(2-dimethylaminoethyl)-4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-(4-m-anisoylpiperazino)-3-nitro-benzenesulfonamide Formula: C22H29N5O6S MolecularWeight: 491.56056

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O6S/c1-24(2)10-9-23-34(31,32)19-7-8-20(21(16-19)27(29)30)25-11-13-26(14-12-25)22(28)17-5-4-6-18(15-17)33-3/h4-8,15-16,23H,9-14H2,1-3H3