N-[3-(azepan-1-yl)propyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-5-(m-tolylmethylsulfonylmethyl)furan-2-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-5-[(3-methylphenyl)methylsulfonylmethyl]-2-furancarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-5-[(3-methylbenzyl)sulfonylmethyl]-2-furamide Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCCCN3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C23H32N2O4S/c1-19-8-6-9-20(16-19)17-30(27,28)18-21-10-11-22(29-21)23(26)24-12-7-15-25-13-4-2-3-5-14-25/h6,8-11,16H,2-5,7,12-15,17-18H2,1H3,(H,24,26)