4-(azepan-1-ylsulfonyl)-N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide Formula: C21H21BrN4O4S MolecularWeight: 505.38484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H21BrN4O4S/c22-17-7-5-6-16(14-17)20-24-25-21(30-20)23-19(27)15-8-10-18(11-9-15)31(28,29)26-12-3-1-2-4-13-26/h5-11,14H,1-4,12-13H2,(H,23,25,27)