N-methyl-3-nitro-4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]amino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[(2-pyrrolidino-1,3-benzothiazol-6-yl)amino]benzenesulfonamide Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S2/c1-19-29(26,27)13-5-7-14(16(11-13)23(24)25)20-12-4-6-15-17(10-12)28-18(21-15)22-8-2-3-9-22/h4-7,10-11,19-20H,2-3,8-9H2,1H3