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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-5-(azepan-1-ylsulfonyl)-2-chloranyl-benzamide Openeye Name: N-[4-(1-adamantyl)phenyl]-5-(azepan-1-ylsulfonyl)-2-chloro-benzamide CAS Name: N-[4-(1-adamantyl)phenyl]-5-(1-azepanylsulfonyl)-2-chlorobenzamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-5-(azepan-1-ylsulfonyl)-2-chlorobenzamide Traditional Name: N-[4-(1-adamantyl)phenyl]-5-(azepan-1-ylsulfonyl)-2-chloro-benzamide Formula: C29H35ClN2O3S MolecularWeight: 527.1178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H35ClN2O3S/c30-27-10-9-25(36(34,35)32-11-3-1-2-4-12-32)16-26(27)28(33)31-24-7-5-23(6-8-24)29-17-20-13-21(18-29)15-22(14-20)19-29/h5-10,16,20-22H,1-4,11-15,17-19H2,(H,31,33)