(3-ethoxythiophen-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-ethoxythiophen-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-ethoxy-2-thienyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-ethoxy-2-thiophenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-ethoxythiophen-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-ethoxy-2-thienyl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O4S2/c1-3-26-18-9-14-27-19(18)20(23)22-11-4-10-21(12-13-22)15-16-5-7-17(8-6-16)28(2,24)25/h5-9,14H,3-4,10-13,15H2,1-2H3