2-chloranyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-thiomorpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-thiomorpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[3-(4-ethyl-1-piperazinyl)propyl]-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: 2-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[3-(4-ethylpiperazino)propyl]-5-thiomorpholinosulfonyl-benzamide Formula: C20H31ClN4O3S2 MolecularWeight: 475.06814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

Isomeric SMILES

CCN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

InChI

InChI=1S/C20H31ClN4O3S2/c1-2-23-8-10-24(11-9-23)7-3-6-22-20(26)18-16-17(4-5-19(18)21)30(27,28)25-12-14-29-15-13-25/h4-5,16H,2-3,6-15H2,1H3,(H,22,26)