N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-5-morpholinosulfonyl-2-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-5-morpholinosulfonyl-2-pyrrolidino-benzamide Formula: C22H29N7O4S MolecularWeight: 487.57516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCCCC4=C(C(=NN4)N)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCCCC4=C(C(=NN4)N)C#N

InChI

InChI=1S/C22H29N7O4S/c23-15-18-19(26-27-21(18)24)4-3-7-25-22(30)17-14-16(5-6-20(17)28-8-1-2-9-28)34(31,32)29-10-12-33-13-11-29/h5-6,14H,1-4,7-13H2,(H,25,30)(H3,24,26,27)