N-[(3-methylthiophen-2-yl)methyl]-2-[oxolan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]-N-(phenylmethyl)ethanamide

Systemtic Name: N-[(3-methylthiophen-2-yl)methyl]-2-[oxolan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-[(3-methyl-2-thienyl)methyl]-2-[8-quinolylsulfonyl(tetrahydrofuran-2-ylmethyl)amino]acetamide CAS Name: N-[(3-methyl-2-thiophenyl)methyl]-2-[2-oxolanylmethyl(8-quinolinylsulfonyl)amino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-[(3-methylthiophen-2-yl)methyl]-2-[oxolan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]acetamide Traditional Name: N-benzyl-N-[(3-methyl-2-thienyl)methyl]-2-[8-quinolylsulfonyl(tetrahydrofurfuryl)amino]acetamide Formula: C29H31N3O4S2 MolecularWeight: 549.70414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC=CC=C2)C(=O)CN(CC3CCCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC=CC=C2)C(=O)CN(CC3CCCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H31N3O4S2/c1-22-14-17-37-26(22)20-31(18-23-8-3-2-4-9-23)28(33)21-32(19-25-12-7-16-36-25)38(34,35)27-13-5-10-24-11-6-15-30-29(24)27/h2-6,8-11,13-15,17,25H,7,12,16,18-21H2,1H3