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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-bromophenyl)sulfonylamino]propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-bromophenyl)sulfonylamino]propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-[(4-bromophenyl)sulfonylamino]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-bromophenyl)sulfonylamino]propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(brosylamino)propionamide Formula: C21H26BrN3O5S2 MolecularWeight: 544.48224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O5S2/c22-17-5-9-19(10-6-17)31(27,28)23-14-13-21(26)24-18-7-11-20(12-8-18)32(29,30)25-15-3-1-2-4-16-25/h5-12,23H,1-4,13-16H2,(H,24,26)