N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(2-methylpropyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(2-methylpropyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-isobutyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-(2-methylpropyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-isobutyl-5-keto-pyrrolidine-3-carboxamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)CC(C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)CC(C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N3O4S/c1-16(2)14-24-15-18(12-21(24)26)22(27)23-19-9-8-17(3)20(13-19)30(28,29)25-10-6-4-5-7-11-25/h8-9,13,16,18H,4-7,10-12,14-15H2,1-3H3,(H,23,27)