N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-5-[(4-ethyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide Traditional Name: 2-chloro-5-(4-ethylpiperazino)sulfonyl-N-piperonyl-benzamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24ClN3O5S/c1-2-24-7-9-25(10-8-24)31(27,28)16-4-5-18(22)17(12-16)21(26)23-13-15-3-6-19-20(11-15)30-14-29-19/h3-6,11-12H,2,7-10,13-14H2,1H3,(H,23,26)