(3S)-N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-nipecotamide Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H24N2O7S/c1-27-17-8-6-16(11-19(17)28-2)31(25,26)23-9-3-4-14(12-23)21(24)22-15-5-7-18-20(10-15)30-13-29-18/h5-8,10-11,14H,3-4,9,12-13H2,1-2H3,(H,22,24)/t14-/m0/s1