6-chloranyl-7-(4-phenethylpiperidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-(4-phenethylpiperidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[(4-phenethyl-1-piperidyl)sulfonyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[(4-phenethyl-1-piperidinyl)sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-(4-phenethylpiperidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-(4-phenethylpiperidino)sulfonyl-4H-1,4-benzoxazin-3-one Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C21H23ClN2O4S/c22-17-12-18-19(28-14-21(25)23-18)13-20(17)29(26,27)24-10-8-16(9-11-24)7-6-15-4-2-1-3-5-15/h1-5,12-13,16H,6-11,14H2,(H,23,25)