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

Systemtic Name: 1-(5-bromanyl-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)-3-(2-phenylazanylethyl)urea Openeye Name: 1-(2-anilinoethyl)-3-(5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)urea CAS Name: 1-(2-anilinoethyl)-3-[5-bromo-3-(1-pyrrolidinylsulfonyl)-1H-indol-2-yl]urea IUPAC Name: 1-(2-anilinoethyl)-3-(5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)urea Traditional Name: 1-(2-anilinoethyl)-3-(5-bromo-3-pyrrolidinosulfonyl-1H-indol-2-yl)urea Formula: C21H24BrN5O3S MolecularWeight: 506.41596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)NC(=O)NCCNC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)NC(=O)NCCNC4=CC=CC=C4

InChI

InChI=1S/C21H24BrN5O3S/c22-15-8-9-18-17(14-15)19(31(29,30)27-12-4-5-13-27)20(25-18)26-21(28)24-11-10-23-16-6-2-1-3-7-16/h1-3,6-9,14,23,25H,4-5,10-13H2,(H2,24,26,28)