2-[butyl-(phenylmethyl)sulfonyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: 2-[butyl-(phenylmethyl)sulfonyl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: 2-[benzylsulfonyl(butyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[butyl-(phenylmethyl)sulfonylamino]-N-cyclopropyl-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: 2-[benzylsulfonyl(butyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[benzylsulfonyl(butyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CN1C)C2CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CN1C)C2CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3S/c1-3-4-15-24(29(27,28)18-19-9-6-5-7-10-19)17-22(26)25(20-12-13-20)16-21-11-8-14-23(21)2/h5-11,14,20H,3-4,12-13,15-18H2,1-2H3