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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(4-pyridylmethyl)phenyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(4-pyridylmethyl)phenyl]propionamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C27H31N3O3S/c31-27(29-25-10-5-23(6-11-25)21-24-15-17-28-18-16-24)14-9-22-7-12-26(13-8-22)34(32,33)30-19-3-1-2-4-20-30/h5-8,10-13,15-18H,1-4,9,14,19-21H2,(H,29,31)