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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-5-[(3-chlorophenyl)methylsulfonylmethyl]furan-2-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-5-[(3-chlorophenyl)methylsulfonylmethyl]furan-2-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-5-[(3-chlorophenyl)methylsulfonylmethyl]-2-furancarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-5-[(3-chlorophenyl)methylsulfonylmethyl]furan-2-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-5-[(3-chlorobenzyl)sulfonylmethyl]-2-furamide Formula: C22H29ClN2O4S MolecularWeight: 452.99466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H29ClN2O4S/c23-19-8-5-7-18(15-19)16-30(27,28)17-20-9-10-21(29-20)22(26)24-11-6-14-25-12-3-1-2-4-13-25/h5,7-10,15H,1-4,6,11-14,16-17H2,(H,24,26)