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

Systemtic Name: 2-chloranyl-N-[3-(4-propylpiperazin-1-yl)propyl]-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[3-(4-propylpiperazin-1-yl)propyl]-5-thiomorpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[3-(4-propyl-1-piperazinyl)propyl]-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: 2-chloro-N-[3-(4-propylpiperazin-1-yl)propyl]-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[3-(4-propylpiperazino)propyl]-5-thiomorpholinosulfonyl-benzamide Formula: C21H33ClN4O3S2 MolecularWeight: 489.09472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

Isomeric SMILES

CCCN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

InChI

InChI=1S/C21H33ClN4O3S2/c1-2-7-24-9-11-25(12-10-24)8-3-6-23-21(27)19-17-18(4-5-20(19)22)31(28,29)26-13-15-30-16-14-26/h4-5,17H,2-3,6-16H2,1H3,(H,23,27)