N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O5S2/c1-24(2)13-7-14-25(22-23-19-12-11-17(26(28)29)16-20(19)32-22)21(27)10-6-15-33(30,31)18-8-4-3-5-9-18/h3-5,8-9,11-12,16H,6-7,10,13-15H2,1-2H3