N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[cyclopropyl(2-furylmethyl)amino]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[cyclopropyl(2-furanylmethyl)amino]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[cyclopropyl(2-furfuryl)amino]acetamide Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN(CC3=CC=CO3)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN(CC3=CC=CO3)C4CC4

InChI

InChI=1S/C22H28ClN3O4S/c23-20-10-9-19(31(28,29)26-11-3-1-2-4-12-26)14-21(20)24-22(27)16-25(17-7-8-17)15-18-6-5-13-30-18/h5-6,9-10,13-14,17H,1-4,7-8,11-12,15-16H2,(H,24,27)