N-[4-(azepan-1-ylsulfonyl)phenyl]-1-tert-butyl-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-tert-butyl-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-tert-butyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-tert-butyl-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-tert-butyl-5-keto-pyrrolidine-3-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-21(2,3)24-15-16(14-19(24)25)20(26)22-17-8-10-18(11-9-17)29(27,28)23-12-6-4-5-7-13-23/h8-11,16H,4-7,12-15H2,1-3H3,(H,22,26)