N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methoxy-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methoxy-4-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methoxy-4-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methoxy-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methoxy-4-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methoxy-4-nitro-benzenesulfonamide Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17N3O5S2/c1-25-14-11-12(20(21)22)8-9-16(14)27(23,24)18-10-4-7-17-19-13-5-2-3-6-15(13)26-17/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3