2-chloranyl-N-(3-pyrrolidin-1-ylbutyl)-5-thiomorpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(3-pyrrolidin-1-ylbutyl)-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(3-pyrrolidin-1-ylbutyl)-5-thiomorpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[3-(1-pyrrolidinyl)butyl]-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: 2-chloro-N-(3-pyrrolidin-1-ylbutyl)-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(3-pyrrolidinobutyl)-5-thiomorpholinosulfonyl-benzamide Formula: C19H28ClN3O3S2 MolecularWeight: 446.02692

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCSCC2)Cl)N3CCCC3

Isomeric SMILES

CC(CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCSCC2)Cl)N3CCCC3

InChI

InChI=1S/C19H28ClN3O3S2/c1-15(22-8-2-3-9-22)6-7-21-19(24)17-14-16(4-5-18(17)20)28(25,26)23-10-12-27-13-11-23/h4-5,14-15H,2-3,6-13H2,1H3,(H,21,24)