4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@H]2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c1-19-28(25,26)12-8-9-14(16(11-12)22(23)24)21-10-4-6-15(21)18-20-13-5-2-3-7-17(13)27-18/h2-3,5,7-9,11,15,19H,4,6,10H2,1H3/t15-/m0/s1