[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone

Systemtic Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone Openeye Name: [4-(1,3-benzoxazol-2-yl)-1-piperidyl]-(3-pyrrolidin-1-ylsulfonyl-2-thienyl)methanone CAS Name: [4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-[3-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methanone IUPAC Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone Traditional Name: [4-(1,3-benzoxazol-2-yl)piperidino]-(3-pyrrolidinosulfonyl-2-thienyl)methanone Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H23N3O4S2/c25-21(19-18(9-14-29-19)30(26,27)24-10-3-4-11-24)23-12-7-15(8-13-23)20-22-16-5-1-2-6-17(16)28-20/h1-2,5-6,9,14-15H,3-4,7-8,10-13H2