N-(phenylmethyl)-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanediamide

Systemtic Name: N-(phenylmethyl)-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanediamide Openeye Name: N-benzyl-N'-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide CAS Name: N-(phenylmethyl)-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide IUPAC Name: N-benzyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide Traditional Name: N-benzyl-N'-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)NC(=O)C(=O)NCC3=CC=CC=C3)N(C1)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC2=C(C=C(C=C2)NC(=O)C(=O)NCC3=CC=CC=C3)N(C1)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H21N3O4S2/c26-21(23-15-16-6-2-1-3-7-16)22(27)24-18-11-10-17-8-4-12-25(19(17)14-18)31(28,29)20-9-5-13-30-20/h1-3,5-7,9-11,13-14H,4,8,12,15H2,(H,23,26)(H,24,27)