N-[5-[2-[(3-bromophenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-[2-[(3-bromophenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-[2-[[(3-bromophenyl)-oxomethyl]amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C22H22BrN5O4S2 MolecularWeight: 564.47518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)CCNC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)CCNC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrN5O4S2/c23-17-7-3-5-15(13-17)20(29)24-10-9-19-26-27-22(33-19)25-21(30)16-6-4-8-18(14-16)34(31,32)28-11-1-2-12-28/h3-8,13-14H,1-2,9-12H2,(H,24,29)(H,25,27,30)