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

Systemtic Name: 4-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoyl]piperazin-2-one Openeye Name: 4-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoyl]piperazin-2-one CAS Name: 4-[1-oxo-3-[1-propyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propyl]-2-piperazinone IUPAC Name: 4-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperazin-2-one Traditional Name: 4-[3-(1-propyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propanoyl]piperazin-2-one Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)N4CCNC(=O)C4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)N4CCNC(=O)C4

InChI

InChI=1S/C21H29N5O4S/c1-2-10-26-18-6-5-16(31(29,30)25-11-3-4-12-25)14-17(18)23-19(26)7-8-21(28)24-13-9-22-20(27)15-24/h5-6,14H,2-4,7-13,15H2,1H3,(H,22,27)