N-[6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Openeye Name: N-[6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-pyridyl]adamantane-1-carboxamide CAS Name: N-[6-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-3-pyridinyl]-1-adamantanecarboxamide IUPAC Name: N-[6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]adamantane-1-carboxamide Traditional Name: N-[6-[4-(4-chlorophenyl)sulfonylpiperazino]-3-pyridyl]adamantane-1-carboxamide Formula: C26H31ClN4O3S MolecularWeight: 515.06734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C26H31ClN4O3S/c27-21-1-4-23(5-2-21)35(33,34)31-9-7-30(8-10-31)24-6-3-22(17-28-24)29-25(32)26-14-18-11-19(15-26)13-20(12-18)16-26/h1-6,17-20H,7-16H2,(H,29,32)