3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-indazol-6-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-indazol-6-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-indazol-6-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(1H-indazol-6-yl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-indazol-6-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-indazol-6-yl)propionamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC4=C(C=C3)C=NN4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC4=C(C=C3)C=NN4

InChI

InChI=1S/C22H26N4O3S/c27-22(24-19-9-8-18-16-23-25-21(18)15-19)12-7-17-5-10-20(11-6-17)30(28,29)26-13-3-1-2-4-14-26/h5-6,8-11,15-16H,1-4,7,12-14H2,(H,23,25)(H,24,27)