4-[3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoyl]piperazin-2-one

Systemtic Name: 4-[3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoyl]piperazin-2-one Openeye Name: 4-[3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoyl]piperazin-2-one CAS Name: 4-[3-[1-butyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]-1-oxopropyl]-2-piperazinone IUPAC Name: 4-[3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperazin-2-one Traditional Name: 4-[3-(1-butyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propanoyl]piperazin-2-one Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)N4CCNC(=O)C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)N4CCNC(=O)C4

InChI

InChI=1S/C22H31N5O4S/c1-2-3-13-27-19-7-6-17(32(30,31)26-11-4-5-12-26)15-18(19)24-20(27)8-9-22(29)25-14-10-23-21(28)16-25/h6-7,15H,2-5,8-14,16H2,1H3,(H,23,28)