2-[3-ethoxypropyl-(4-methylphenyl)sulfonyl-amino]-N-[(3-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[3-ethoxypropyl-(4-methylphenyl)sulfonyl-amino]-N-[(3-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-ethoxypropyl(p-tolylsulfonyl)amino]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[3-ethoxypropyl-(4-methylphenyl)sulfonylamino]-N-[(3-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[3-ethoxypropyl-(4-methylphenyl)sulfonylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: N-benzyl-2-[3-ethoxypropyl(tosyl)amino]-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C27H34N2O4S2 MolecularWeight: 514.69986

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H34N2O4S2/c1-4-33-17-8-16-29(35(31,32)25-13-11-22(2)12-14-25)21-27(30)28(19-24-9-6-5-7-10-24)20-26-23(3)15-18-34-26/h5-7,9-15,18H,4,8,16-17,19-21H2,1-3H3