2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]acetamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O4S2/c1-15-5-4-12-24(13-15)30(26,27)17-10-8-16(9-11-17)22-20(25)14-29-21-23-18-6-2-3-7-19(18)28-21/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,22,25)/t15-/m0/s1