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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-nitro-benzenesulfonamide Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S2/c20-19(21)13-7-2-4-9-15(13)25(22,23)17-11-5-10-16-18-12-6-1-3-8-14(12)24-16/h1-4,6-9,17H,5,10-11H2