2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(furan-2-ylmethyl)amino]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(furan-2-ylmethyl)amino]-N-phenyl-ethanamide Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(2-furylmethyl)amino]-N-phenyl-acetamide CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]sulfonyl-(2-furanylmethyl)amino]-N-phenylacetamide IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(furan-2-ylmethyl)amino]-N-phenylacetamide Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(2-furfuryl)amino]-N-phenyl-acetamide Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CO3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CO3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O6S2/c29-25(26-21-9-4-3-5-10-21)20-28(19-22-11-8-18-34-22)36(32,33)24-14-12-23(13-15-24)35(30,31)27-16-6-1-2-7-17-27/h3-5,8-15,18H,1-2,6-7,16-17,19-20H2,(H,26,29)