N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C[C@H](OC2=CC=CC=C21)CN(C)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H33N3O4S/c1-3-27-19-21(32-24-9-5-4-8-23(24)27)18-26(2)25(29)15-12-20-10-13-22(14-11-20)33(30,31)28-16-6-7-17-28/h4-5,8-11,13-14,21H,3,6-7,12,15-19H2,1-2H3/t21-/m1/s1