(4-methoxy-2-nitro-phenyl)sulfonyl-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)azanide

Systemtic Name: (4-methoxy-2-nitro-phenyl)sulfonyl-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)azanide Openeye Name: (4-methoxy-2-nitro-phenyl)sulfonyl-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)azanide CAS Name: (4-methoxy-2-nitrophenyl)sulfonyl-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]azanide IUPAC Name: (4-methoxy-2-nitrophenyl)sulfonyl-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)azanide Traditional Name: (4-methoxy-2-nitro-phenyl)sulfonyl-(2-pyrrolidino-1,3-benzothiazol-6-yl)azanide Formula: C18H17N4O5S2- MolecularWeight: 433.48138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)[N-]C2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)[N-]C2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N4O5S2/c1-27-13-5-7-17(15(11-13)22(23)24)29(25,26)20-12-4-6-14-16(10-12)28-18(19-14)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3/q-1