N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[(2S)-4-isobutylmorpholin-2-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[(2S)-4-(2-methylpropyl)-2-morpholinyl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[(2S)-4-isobutylmorpholin-2-yl]methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCOC(C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)CN1CCO[C@H](C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H31N3O4S/c1-16(2)14-22-11-12-27-18(15-22)13-21-20(24)17-5-7-19(8-6-17)28(25,26)23-9-3-4-10-23/h5-8,16,18H,3-4,9-15H2,1-2H3,(H,21,24)/t18-/m0/s1