N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-4-nitro-benzenesulfonamide Formula: C25H25N5O4S2 MolecularWeight: 523.6271

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=NSC5=CC=CC=C54

InChI

InChI=1S/C25H25N5O4S2/c31-30(32)21-9-11-22(12-10-21)36(33,34)27-20-7-5-19(6-8-20)13-14-28-15-17-29(18-16-28)25-23-3-1-2-4-24(23)35-26-25/h1-12,27H,13-18H2