1-(5-bromanyl-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)-3-(3-phenylpropyl)urea

Systemtic Name: 1-(5-bromanyl-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)-3-(3-phenylpropyl)urea Openeye Name: 1-(5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)-3-(3-phenylpropyl)urea CAS Name: 1-[5-bromo-3-(1-pyrrolidinylsulfonyl)-1H-indol-2-yl]-3-(3-phenylpropyl)urea IUPAC Name: 1-(5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)-3-(3-phenylpropyl)urea Traditional Name: 1-(5-bromo-3-pyrrolidinosulfonyl-1H-indol-2-yl)-3-(3-phenylpropyl)urea Formula: C22H25BrN4O3S MolecularWeight: 505.4279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)NC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)NC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C22H25BrN4O3S/c23-17-10-11-19-18(15-17)20(31(29,30)27-13-4-5-14-27)21(25-19)26-22(28)24-12-6-9-16-7-2-1-3-8-16/h1-3,7-8,10-11,15,25H,4-6,9,12-14H2,(H2,24,26,28)