2-[(3S)-1-(3,4-diethoxyphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-(3,4-diethoxyphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-(3,4-diethoxyphenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-(3,4-diethoxyphenyl)sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-(3,4-diethoxyphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-(3,4-diethoxyphenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3)OCC

InChI

InChI=1S/C22H26N2O4S2/c1-3-27-19-12-11-17(14-20(19)28-4-2)30(25,26)24-13-7-8-16(15-24)22-23-18-9-5-6-10-21(18)29-22/h5-6,9-12,14,16H,3-4,7-8,13,15H2,1-2H3/t16-/m0/s1