N-tert-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]octane-1-sulfonamide

Systemtic Name: N-tert-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]octane-1-sulfonamide Openeye Name: N-tert-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]octane-1-sulfonamide CAS Name: N-tert-butyl-N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-octanesulfonamide IUPAC Name: N-tert-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]octane-1-sulfonamide Traditional Name: N-tert-butyl-N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]octane-1-sulfonamide Formula: C24H37ClN2O2S MolecularWeight: 453.08078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(C)(C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)N(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(C)(C)C

InChI

InChI=1S/C24H37ClN2O2S/c1-5-6-7-8-9-10-17-30(28,29)27(24(2,3)4)20-23-15-12-16-26(23)19-21-13-11-14-22(25)18-21/h11-16,18H,5-10,17,19-20H2,1-4H3