N-[2-chloranyl-4-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[2-chloranyl-4-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[2-chloro-4-[[4-(2-furylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide CAS Name: N-[2-chloro-4-[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-chloro-4-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[2-chloro-4-[[4-(2-furfuryl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CO3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CO3)Cl

InChI

InChI=1S/C18H22ClN3O4S/c1-14(23)20-18-6-5-16(12-17(18)19)27(24,25)22-8-3-7-21(9-10-22)13-15-4-2-11-26-15/h2,4-6,11-12H,3,7-10,13H2,1H3,(H,20,23)