N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(phenylmethyl)-propan-2-yl-amino]ethanamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(phenylmethyl)-propan-2-yl-amino]ethanamide Openeye Name: 2-[benzyl(isopropyl)amino]-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(phenylmethyl)-propan-2-ylamino]acetamide IUPAC Name: 2-[benzyl(propan-2-yl)amino]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[benzyl(isopropyl)amino]-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)C(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)C(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C25H35N3O4S/c1-4-32-23-14-13-22(17-24(23)33(30,31)28-15-9-6-10-16-28)26-25(29)19-27(20(2)3)18-21-11-7-5-8-12-21/h5,7-8,11-14,17,20H,4,6,9-10,15-16,18-19H2,1-3H3,(H,26,29)