N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17N3O4S2/c1-12-8-9-13(20(21)22)11-16(12)26(23,24)18-10-4-7-17-19-14-5-2-3-6-15(14)25-17/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3