[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-[(4,5-dimethylthiazol-2-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-[(4,5-dimethyl-2-thiazolyl)methyl]-1-piperazinyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[(4,5-dimethylthiazol-2-yl)methyl]piperazino]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(SC(=N1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C21H28N4O3S2/c1-16-17(2)29-20(22-16)15-23-11-13-24(14-12-23)21(26)18-5-7-19(8-6-18)30(27,28)25-9-3-4-10-25/h5-8H,3-4,9-15H2,1-2H3