N-(furan-2-ylmethyl)-4-methyl-N-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-4-methyl-N-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(2-furylmethyl)-4-methyl-N-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(2-furanylmethyl)-4-methyl-N-[2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-4-methyl-N-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: N-(2-furfuryl)-N-[2-keto-2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethyl]-4-methyl-benzenesulfonamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)N3CCCCC[C@H]3C4=CC=CN4C

InChI

InChI=1S/C25H31N3O4S/c1-20-11-13-22(14-12-20)33(30,31)27(18-21-8-7-17-32-21)19-25(29)28-16-5-3-4-9-24(28)23-10-6-15-26(23)2/h6-8,10-15,17,24H,3-5,9,16,18-19H2,1-2H3/t24-/m0/s1