1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-3-(4-pyrrolidinosulfonylphenyl)propan-1-one Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H29N3O3S2/c29-24(14-11-19-9-12-21(13-10-19)33(30,31)28-16-3-4-17-28)27-15-5-6-20(18-27)25-26-22-7-1-2-8-23(22)32-25/h1-2,7-10,12-13,20H,3-6,11,14-18H2/t20-/m0/s1