N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide Formula: C30H25N3O5S2 MolecularWeight: 571.6666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H25N3O5S2/c1-19-24(17-31)30(39-28(19)16-20-8-13-26-27(15-20)38-18-37-26)32-29(34)22-9-11-23(12-10-22)40(35,36)33-14-4-6-21-5-2-3-7-25(21)33/h2-3,5,7-13,15H,4,6,14,16,18H2,1H3,(H,32,34)