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

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-butan-2-yl-amino]-N-[(3-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-sec-butyl-amino]-N-benzyl-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-butan-2-ylamino]-N-[(3-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-butan-2-ylamino]-N-benzyl-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-sec-butyl-amino]-N-benzyl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C27H33N3O4S2 MolecularWeight: 527.69862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4S2/c1-5-21(3)30(36(33,34)25-13-11-24(12-14-25)28-22(4)31)19-27(32)29(17-23-9-7-6-8-10-23)18-26-20(2)15-16-35-26/h6-16,21H,5,17-19H2,1-4H3,(H,28,31)