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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(sulfamoylamino)phenyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(sulfamoylamino)phenyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[3-(sulfamoylamino)phenyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(sulfamoylamino)phenyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(sulfamoylamino)phenyl]propionamide Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC(=CC=C3)NS(=O)(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC(=CC=C3)NS(=O)(=O)N

InChI

InChI=1S/C21H28N4O5S2/c22-32(29,30)24-19-7-5-6-18(16-19)23-21(26)13-10-17-8-11-20(12-9-17)31(27,28)25-14-3-1-2-4-15-25/h5-9,11-12,16,24H,1-4,10,13-15H2,(H,23,26)(H2,22,29,30)