N-[4-(3-phenyl-1-adamantyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(3-phenyl-1-adamantyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(3-phenyl-1-adamantyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(3-phenyl-1-adamantyl)phenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(3-phenyl-1-adamantyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(3-phenyl-1-adamantyl)phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C33H36N2O3S MolecularWeight: 540.71554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)(C5)C7=CC=CC=C7

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)(C5)C7=CC=CC=C7

InChI

InChI=1S/C33H36N2O3S/c36-31(26-8-14-30(15-9-26)39(37,38)35-16-4-5-17-35)34-29-12-10-28(11-13-29)33-21-24-18-25(22-33)20-32(19-24,23-33)27-6-2-1-3-7-27/h1-3,6-15,24-25H,4-5,16-23H2,(H,34,36)