N-[4-(1-adamantyl)phenyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-1,4-bis(benzenesulfonyl)piperazine-2-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-1,4-bis(benzenesulfonyl)-2-piperazinecarboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-1,4-bis(benzenesulfonyl)piperazine-2-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-1,4-dibesyl-piperazine-2-carboxamide Formula: C33H37N3O5S2 MolecularWeight: 619.79398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)S(=O)(=O)C7=CC=CC=C7

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)S(=O)(=O)C7=CC=CC=C7

InChI

InChI=1S/C33H37N3O5S2/c37-32(34-28-13-11-27(12-14-28)33-20-24-17-25(21-33)19-26(18-24)22-33)31-23-35(42(38,39)29-7-3-1-4-8-29)15-16-36(31)43(40,41)30-9-5-2-6-10-30/h1-14,24-26,31H,15-23H2,(H,34,37)