2-[(2S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]-1,3-benzothiazole Formula: C16H18N4O2S2 MolecularWeight: 362.46972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H18N4O2S2/c1-10-15(11(2)19-18-10)24(21,22)20-9-5-7-13(20)16-17-12-6-3-4-8-14(12)23-16/h3-4,6,8,13H,5,7,9H2,1-2H3,(H,18,19)/t13-/m0/s1