N-[2-[(3,5-dimethylphenyl)carbonylamino]ethyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[(3,5-dimethylphenyl)carbonylamino]ethyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[2-[(3,5-dimethylbenzoyl)amino]ethyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: N-[2-[[(3,5-dimethylphenyl)-oxomethyl]amino]ethyl]-1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[2-[(3,5-dimethylbenzoyl)amino]ethyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[2-[(3,5-dimethylbenzoyl)amino]ethyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCCNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCCNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H28N4O5S/c1-15-10-16(2)12-17(11-15)20(26)22-4-5-23-21(27)19-13-18(14-24(19)3)31(28,29)25-6-8-30-9-7-25/h10-14H,4-9H2,1-3H3,(H,22,26)(H,23,27)