N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(5S)-5-methyl-3-oxidanylidene-pyrazolidin-1-yl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(5S)-5-methyl-3-oxidanylidene-pyrazolidin-1-yl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(5S)-5-methyl-3-oxo-pyrazolidin-1-yl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(5S)-5-methyl-3-oxo-1-pyrazolidinyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[(5S)-5-methyl-3-oxopyrazolidin-1-yl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(5S)-3-keto-5-methyl-pyrazolidin-1-yl]acetamide Formula: C18H25ClN4O4S MolecularWeight: 428.9335

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

C[C@H]1CC(=O)NN1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C18H25ClN4O4S/c1-13-10-17(24)21-23(13)12-18(25)20-16-11-14(6-7-15(16)19)28(26,27)22-8-4-2-3-5-9-22/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,20,25)(H,21,24)/t13-/m0/s1