N-[[(5S,7R)-3-chloranyl-1-adamantyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[(5S,7R)-3-chloranyl-1-adamantyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[(5S,7R)-3-chloro-1-adamantyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[(5S,7R)-3-chloro-1-adamantyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[(5S,7R)-3-chloro-1-adamantyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[(5S,7R)-3-chloro-1-adamantyl]methyl]-3-pyrrolidinosulfonyl-benzamide Formula: C22H29ClN2O3S MolecularWeight: 436.99526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H29ClN2O3S/c23-22-12-16-8-17(13-22)11-21(10-16,14-22)15-24-20(26)18-4-3-5-19(9-18)29(27,28)25-6-1-2-7-25/h3-5,9,16-17H,1-2,6-8,10-15H2,(H,24,26)/t16-,17+,21?,22?