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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-chloranyl-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-chloro-5-thiomorpholinosulfonyl-benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-chloro-5-thiomorpholinosulfonyl-benzamide Formula: C19H28ClN3O3S2 MolecularWeight: 446.02692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O3S2/c20-18-6-5-16(28(25,26)23-11-13-27-14-12-23)15-17(18)19(24)21-7-10-22-8-3-1-2-4-9-22/h5-6,15H,1-4,7-14H2,(H,21,24)