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

Systemtic Name: N-[4-(3-chloranyl-1-adamantyl)phenyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[4-(3-chloro-1-adamantyl)phenyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[4-(3-chloro-1-adamantyl)phenyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[4-(3-chloro-1-adamantyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[4-(3-chloro-1-adamantyl)phenyl]-4-morpholinosulfonyl-benzamide Formula: C27H31ClN2O4S MolecularWeight: 515.06404

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)(C5)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)(C5)Cl

InChI

InChI=1S/C27H31ClN2O4S/c28-27-16-19-13-20(17-27)15-26(14-19,18-27)22-3-5-23(6-4-22)29-25(31)21-1-7-24(8-2-21)35(32,33)30-9-11-34-12-10-30/h1-8,19-20H,9-18H2,(H,29,31)