4-methyl-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-1,3-thiazole

Systemtic Name: 4-methyl-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-1,3-thiazole Openeye Name: 4-methyl-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]thiazole CAS Name: 4-methyl-2-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]thiazole IUPAC Name: 4-methyl-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]-1,3-thiazole Traditional Name: 4-methyl-2-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]thiazole Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S2/c1-14-13-28-18(19-14)21-10-8-20(9-11-21)16-5-4-15(12-17(16)23(24)25)29(26,27)22-6-2-3-7-22/h4-5,12-13H,2-3,6-11H2,1H3