[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(2-methyl-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H27N3O3S2/c1-17-10-11-19(32(29,30)27-13-4-5-14-27)15-20(17)24(28)26-12-6-7-18(16-26)23-25-21-8-2-3-9-22(21)31-23/h2-3,8-11,15,18H,4-7,12-14,16H2,1H3/t18-/m0/s1