N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(2-thienyl)acetamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-thiophen-2-ylacetamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(2-thienyl)acetamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CC4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C22H29N3O4S2/c26-22(16-18-6-5-15-30-18)23-20-17-19(31(27,28)25-11-13-29-14-12-25)7-8-21(20)24-9-3-1-2-4-10-24/h5-8,15,17H,1-4,9-14,16H2,(H,23,26)