N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[5-(1-adamantyl)-1-triazolyl]phenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C29H33N5O3S MolecularWeight: 531.66902

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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)N4C(=CN=N4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N4C(=CN=N4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H33N5O3S/c35-28(23-3-9-26(10-4-23)38(36,37)33-11-1-2-12-33)31-24-5-7-25(8-6-24)34-27(19-30-32-34)29-16-20-13-21(17-29)15-22(14-20)18-29/h3-10,19-22H,1-2,11-18H2,(H,31,35)