N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1-phenylpyrazol-4-yl)propionamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S/c29-24(15-10-20-18-25-28(19-20)22-8-4-3-5-9-22)26-21-11-13-23(14-12-21)32(30,31)27-16-6-1-2-7-17-27/h3-5,8-9,11-14,18-19H,1-2,6-7,10,15-17H2,(H,26,29)