N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonyl-N-(phenylmethyl)benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonyl-N-(phenylmethyl)benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-4-morpholinosulfonyl-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-(4-morpholinylsulfonyl)-N-(phenylmethyl)benzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-4-morpholinosulfonyl-benzamide Formula: C30H34N4O4S2 MolecularWeight: 578.74536

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=C3)C4=NN=C(S4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=C3)C4=NN=C(S4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H34N4O4S2/c35-27(25-6-8-26(9-7-25)40(36,37)33-10-12-38-13-11-33)34(20-21-4-2-1-3-5-21)29-32-31-28(39-29)30-17-22-14-23(18-30)16-24(15-22)19-30/h1-9,22-24H,10-20H2