N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-(azepan-1-ylsulfonyl)-4-chloranyl-benzamide

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-(azepan-1-ylsulfonyl)-4-chloranyl-benzamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(azepan-1-ylsulfonyl)-4-chloro-benzamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(1-azepanylsulfonyl)-4-chlorobenzamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(azepan-1-ylsulfonyl)-4-chlorobenzamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(azepan-1-ylsulfonyl)-4-chloro-benzamide Formula: C20H25ClN6O3S MolecularWeight: 464.9689

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCC3=C(C(=NN3)N)C#N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCC3=C(C(=NN3)N)C#N)Cl

InChI

InChI=1S/C20H25ClN6O3S/c21-16-8-7-14(12-18(16)31(29,30)27-10-3-1-2-4-11-27)20(28)24-9-5-6-17-15(13-22)19(23)26-25-17/h7-8,12H,1-6,9-11H2,(H,24,28)(H3,23,25,26)