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

Systemtic Name: 2-chloranyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-5-thiomorpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[3-(4-methyl-1-piperazinyl)propyl]-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[3-(4-methylpiperazino)propyl]-5-thiomorpholinosulfonyl-benzamide Formula: C19H29ClN4O3S2 MolecularWeight: 461.04156

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

InChI

InChI=1S/C19H29ClN4O3S2/c1-22-7-9-23(10-8-22)6-2-5-21-19(25)17-15-16(3-4-18(17)20)29(26,27)24-11-13-28-14-12-24/h3-4,15H,2,5-14H2,1H3,(H,21,25)