2-[butan-2-yl-(4-nitrophenyl)sulfonyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: 2-[butan-2-yl-(4-nitrophenyl)sulfonyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)sulfonyl-sec-butyl-amino]acetamide CAS Name: 2-[butan-2-yl-(4-nitrophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: 2-[butan-2-yl-(4-nitrophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[nosyl(sec-butyl)amino]acetamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CN1C)C2CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CN1C)C2CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5S/c1-4-16(2)24(31(29,30)20-11-9-18(10-12-20)25(27)28)15-21(26)23(17-7-8-17)14-19-6-5-13-22(19)3/h5-6,9-13,16-17H,4,7-8,14-15H2,1-3H3