N-(4-methylsulfonyl-2-nitro-phenyl)-2-pyrrolidin-1-yl-1,3-benzothiazol-6-amine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)-2-pyrrolidin-1-yl-1,3-benzothiazol-6-amine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)-2-pyrrolidin-1-yl-1,3-benzothiazol-6-amine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-2-(1-pyrrolidinyl)-1,3-benzothiazol-6-amine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)-2-pyrrolidin-1-yl-1,3-benzothiazol-6-amine Traditional Name: (4-mesyl-2-nitro-phenyl)-(2-pyrrolidino-1,3-benzothiazol-6-yl)amine Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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