3-nitro-4-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzenesulfonamide Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-4-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]benzenesulfonamide IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazino)ethylamino]-3-nitro-benzenesulfonamide Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O4S/c20-29(27,28)17-6-7-18(19(14-17)24(25)26)21-8-9-22-10-12-23(13-11-22)15-16-4-2-1-3-5-16/h1-7,14,21H,8-13,15H2,(H2,20,27,28)