(3S)-1-(3-chloranyl-4-methyl-phenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-methyl-phenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methyl-phenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methyl-phenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)nipecotamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-14-4-6-17(12-18(14)22)30(26,27)24-8-2-3-15(13-24)21(25)23-16-5-7-19-20(11-16)29-10-9-28-19/h4-7,11-12,15H,2-3,8-10,13H2,1H3,(H,23,25)/t15-/m0/s1