N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexyl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexyl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexyl-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(4-chlorophenyl)sulfonyl-cyclohexyl-amino]-N-[(3-methyl-2-thienyl)methyl]-N-piperonyl-acetamide Formula: C28H31ClN2O5S2 MolecularWeight: 575.13914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4CCCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4CCCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H31ClN2O5S2/c1-20-13-14-37-27(20)17-30(16-21-7-12-25-26(15-21)36-19-35-25)28(32)18-31(23-5-3-2-4-6-23)38(33,34)24-10-8-22(29)9-11-24/h7-15,23H,2-6,16-19H2,1H3