N-[1-(1-adamantyl)ethyl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-chloro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C23H31ClN2O3S MolecularWeight: 451.02184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCC5)Cl

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCC5)Cl

InChI

InChI=1S/C23H31ClN2O3S/c1-15(23-12-16-8-17(13-23)10-18(9-16)14-23)25-22(27)20-11-19(4-5-21(20)24)30(28,29)26-6-2-3-7-26/h4-5,11,15-18H,2-3,6-10,12-14H2,1H3,(H,25,27)