(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenyl-thiophen-2-yl)methanone

Systemtic Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenyl-thiophen-2-yl)methanone Openeye Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholino-4-phenyl-2-thienyl)methanone CAS Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[5-(4-morpholinyl)-4-phenyl-2-thiophenyl]methanone IUPAC Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(5-morpholino-4-phenyl-2-thienyl)methanone Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3O4S2/c1-30(26,27)24-9-5-8-22(10-11-24)20(25)19-16-18(17-6-3-2-4-7-17)21(29-19)23-12-14-28-15-13-23/h2-4,6-7,16H,5,8-15H2,1H3