N-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-[2-(cyclopropylamino)-2-oxo-ethyl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[2-(cyclopropylamino)-2-keto-ethyl]phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC(=O)NC4CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC(=O)NC4CC4

InChI

InChI=1S/C22H25N3O4S/c26-21(23-18-9-10-18)15-16-3-7-19(8-4-16)24-22(27)17-5-11-20(12-6-17)30(28,29)25-13-1-2-14-25/h3-8,11-12,18H,1-2,9-10,13-15H2,(H,23,26)(H,24,27)