N-[4-(1-adamantyl)phenyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide Openeye Name: N-[4-(1-adamantyl)phenyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide CAS Name: N-[4-(1-adamantyl)phenyl]-5-(1-azepanylsulfonyl)-2-methoxybenzamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide Traditional Name: N-[4-(1-adamantyl)phenyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide Formula: C30H38N2O4S MolecularWeight: 522.69872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H38N2O4S/c1-36-28-11-10-26(37(34,35)32-12-4-2-3-5-13-32)17-27(28)29(33)31-25-8-6-24(7-9-25)30-18-21-14-22(19-30)16-23(15-21)20-30/h6-11,17,21-23H,2-5,12-16,18-20H2,1H3,(H,31,33)