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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-chloranyl-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-chloro-5-thiomorpholinosulfonyl-benzamide CAS Name: N-[3-(1-azepanyl)propyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-chloro-5-thiomorpholinosulfonyl-benzamide Formula: C20H30ClN3O3S2 MolecularWeight: 460.0535

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

InChI

InChI=1S/C20H30ClN3O3S2/c21-19-7-6-17(29(26,27)24-12-14-28-15-13-24)16-18(19)20(25)22-8-5-11-23-9-3-1-2-4-10-23/h6-7,16H,1-5,8-15H2,(H,22,25)