1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxo-N-thiazol-2-yl-pyrrolidine-3-carboxamide CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-N-(2-thiazolyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-keto-N-thiazol-2-yl-pyrrolidine-3-carboxamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)NC4=NC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)NC4=NC=CS4

InChI

InChI=1S/C20H24N4O4S2/c25-18-13-15(19(26)22-20-21-9-12-29-20)14-24(18)16-5-7-17(8-6-16)30(27,28)23-10-3-1-2-4-11-23/h5-9,12,15H,1-4,10-11,13-14H2,(H,21,22,26)