2-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzothiazol-6-amine

Systemtic Name: 2-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzothiazol-6-amine Openeye Name: 2-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzothiazol-6-amine CAS Name: 2-methyl-N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1,3-benzothiazol-6-amine IUPAC Name: 2-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzothiazol-6-amine Traditional Name: (2-methyl-1,3-benzothiazol-6-yl)-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c1-12-19-16-6-4-13(10-18(16)27-12)20-15-7-5-14(11-17(15)22(23)24)28(25,26)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3