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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenyl-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-phenylpropanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenyl-propionamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c24-21(15-10-18-8-4-3-5-9-18)22-19-11-13-20(14-12-19)27(25,26)23-16-6-1-2-7-17-23/h3-5,8-9,11-14H,1-2,6-7,10,15-17H2,(H,22,24)