N-(3-imidazol-1-ylpropyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carboxamide Openeye Name: 4-benzylsulfonyl-N-(3-imidazol-1-ylpropyl)piperazine-1-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-(phenylmethyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: 4-benzylsulfonyl-N-(3-imidazol-1-ylpropyl)piperazine-1-carboxamide Traditional Name: 4-benzylsulfonyl-N-(3-imidazol-1-ylpropyl)piperazine-1-carboxamide Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCCN2C=CN=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)NCCCN2C=CN=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H25N5O3S/c24-18(20-7-4-9-21-10-8-19-16-21)22-11-13-23(14-12-22)27(25,26)15-17-5-2-1-3-6-17/h1-3,5-6,8,10,16H,4,7,9,11-15H2,(H,20,24)