N-[3-[butyl-(phenylmethyl)amino]propyl]-2-(3-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-(3-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[3-[benzyl(butyl)amino]propyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-[3-oxo-6-(1-pyrrolidinylsulfonyl)-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-[3-[benzyl(butyl)amino]propyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[3-[benzyl(butyl)amino]propyl]-2-(3-keto-6-pyrrolidinosulfonyl-1,4-benzoxazin-4-yl)acetamide Formula: C28H38N4O5S MolecularWeight: 542.69012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN(CCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H38N4O5S/c1-2-3-15-30(20-23-10-5-4-6-11-23)16-9-14-29-27(33)21-32-25-19-24(12-13-26(25)37-22-28(32)34)38(35,36)31-17-7-8-18-31/h4-6,10-13,19H,2-3,7-9,14-18,20-22H2,1H3,(H,29,33)