1-butylsulfonyl-N-cyclopropyl-methanamide; N,3,5-trimethyl-N-[(2S)-1-oxidanylidene-3-(4-pyrrol-1-ylphenyl)propan-2-yl]benzamide

Systemtic Name: 1-butylsulfonyl-N-cyclopropyl-methanamide; N,3,5-trimethyl-N-[(2S)-1-oxidanylidene-3-(4-pyrrol-1-ylphenyl)propan-2-yl]benzamide Openeye Name: 1-butylsulfonyl-N-cyclopropyl-formamide; N-[(1S)-1-formyl-2-(4-pyrrol-1-ylphenyl)ethyl]-N,3,5-trimethyl-benzamide CAS Name: 1-butylsulfonyl-N-cyclopropylformamide; N,3,5-trimethyl-N-[(2S)-1-oxo-3-[4-(1-pyrrolyl)phenyl]propan-2-yl]benzamide IUPAC Name: 1-butylsulfonyl-N-cyclopropylformamide; N,3,5-trimethyl-N-[(2S)-1-oxo-3-(4-pyrrol-1-ylphenyl)propan-2-yl]benzamide Traditional Name: 1-butylsulfonyl-N-cyclopropyl-formamide; N-[(1S)-1-formyl-2-(4-pyrrol-1-ylphenyl)ethyl]-N,3,5-trimethyl-benzamide Formula: C31H39N3O5S MolecularWeight: 565.72346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C(=O)NC1CC1.CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)N3C=CC=C3)C=O)C

Isomeric SMILES

CCCCS(=O)(=O)C(=O)NC1CC1.CC1=CC(=CC(=C1)C(=O)N(C)[C@@H](CC2=CC=C(C=C2)N3C=CC=C3)C=O)C

InChI

InChI=1S/C23H24N2O2.C8H15NO3S/c1-17-12-18(2)14-20(13-17)23(27)24(3)22(16-26)15-19-6-8-21(9-7-19)25-10-4-5-11-25;1-2-3-6-13(11,12)8(10)9-7-4-5-7/h4-14,16,22H,15H2,1-3H3;7H,2-6H2,1H3,(H,9,10)/t22-;/m0./s1