N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(phenylsulfonyl)piperazine-1-carboxamide

Systemtic Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-1-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-1-carboxamide Traditional Name: 4-besyl-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-1-carboxamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCO2)NC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O5S/c1-16(17-7-8-19-20(15-17)29-14-13-28-19)22-21(25)23-9-11-24(12-10-23)30(26,27)18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3,(H,22,25)/t16-/m0/s1