4-(4-aminophenyl)sulfonyl-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide

Systemtic Name: 4-(4-aminophenyl)sulfonyl-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide Openeye Name: 4-(4-aminophenyl)sulfonyl-N-[(3R)-quinuclidin-3-yl]benzamide CAS Name: 4-(4-aminophenyl)sulfonyl-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide IUPAC Name: 4-(4-aminophenyl)sulfonyl-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide Traditional Name: N-[(3R)-quinuclidin-3-yl]-4-sulfanilyl-benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N

Isomeric SMILES

C1CN2CCC1[C@H](C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C20H23N3O3S/c21-16-3-7-18(8-4-16)27(25,26)17-5-1-15(2-6-17)20(24)22-19-13-23-11-9-14(19)10-12-23/h1-8,14,19H,9-13,21H2,(H,22,24)/t19-/m0/s1