4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidino]-3-nitro-benzenesulfonamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c19-28(25,26)13-5-6-15(16(11-13)22(23)24)21-9-7-12(8-10-21)18-20-14-3-1-2-4-17(14)27-18/h1-6,11-12H,7-10H2,(H2,19,25,26)