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

Systemtic Name: N-[3-(azepan-1-yl)butyl]-2-chloranyl-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-yl)butyl]-2-chloro-5-thiomorpholinosulfonyl-benzamide CAS Name: N-[3-(1-azepanyl)butyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: N-[3-(azepan-1-yl)butyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-yl)butyl]-2-chloro-5-thiomorpholinosulfonyl-benzamide Formula: C21H32ClN3O3S2 MolecularWeight: 474.08008

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCSCC2)Cl)N3CCCCCC3

Isomeric SMILES

CC(CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCSCC2)Cl)N3CCCCCC3

InChI

InChI=1S/C21H32ClN3O3S2/c1-17(24-10-4-2-3-5-11-24)8-9-23-21(26)19-16-18(6-7-20(19)22)30(27,28)25-12-14-29-15-13-25/h6-7,16-17H,2-5,8-15H2,1H3,(H,23,26)