N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-chloranyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-chloranyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-chloro-5-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)propyl]-2-chloro-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-chloro-5-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)propyl]-2-chloro-5-nitro-benzenesulfonamide Formula: C16H14ClN3O4S3 MolecularWeight: 443.94806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O4S3/c17-12-7-6-11(20(21)22)10-15(12)27(23,24)18-8-3-9-25-16-19-13-4-1-2-5-14(13)26-16/h1-2,4-7,10,18H,3,8-9H2