5-chloranyl-6-[2-[4-(phenylmethyl)piperidin-1-yl]ethylsulfinyl]-3H-1,3-benzoxazol-2-one

Systemtic Name: 5-chloranyl-6-[2-[4-(phenylmethyl)piperidin-1-yl]ethylsulfinyl]-3H-1,3-benzoxazol-2-one Openeye Name: 6-[2-(4-benzyl-1-piperidyl)ethylsulfinyl]-5-chloro-3H-1,3-benzoxazol-2-one CAS Name: 5-chloro-6-[2-[4-(phenylmethyl)-1-piperidinyl]ethylsulfinyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-[2-(4-benzylpiperidin-1-yl)ethylsulfinyl]-5-chloro-3H-1,3-benzoxazol-2-one Traditional Name: 6-[2-(4-benzylpiperidino)ethylsulfinyl]-5-chloro-3H-1,3-benzoxazol-2-one Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCS(=O)C3=C(C=C4C(=C3)OC(=O)N4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCS(=O)C3=C(C=C4C(=C3)OC(=O)N4)Cl

InChI

InChI=1S/C21H23ClN2O3S/c22-17-13-18-19(27-21(25)23-18)14-20(17)28(26)11-10-24-8-6-16(7-9-24)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H,23,25)