N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC=N6

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC=N6

InChI

InChI=1S/C23H29N5O3S/c29-21(26-19-3-5-20(6-4-19)32(30,31)27-7-1-2-8-27)22-10-17-9-18(11-22)13-23(12-17,14-22)28-16-24-15-25-28/h3-6,15-18H,1-2,7-14H2,(H,26,29)