6-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-olate

Systemtic Name: 6-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-olate Openeye Name: 6-[[(3S)-3-(3,4-dimethylanilino)-1-piperidyl]sulfonyl]-1,3-benzoxazol-2-olate CAS Name: 6-[[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]sulfonyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-olate Traditional Name: 6-[(3S)-3-(3,4-dimethylanilino)piperidino]sulfonyl-1,3-benzoxazol-2-olate Formula: C20H22N3O4S- MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(O4)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(O4)[O-])C

InChI

InChI=1S/C20H23N3O4S/c1-13-5-6-15(10-14(13)2)21-16-4-3-9-23(12-16)28(25,26)17-7-8-18-19(11-17)27-20(24)22-18/h5-8,10-11,16,21H,3-4,9,12H2,1-2H3,(H,22,24)/p-1/t16-/m0/s1