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

Systemtic Name: 1-(5-bromanyl-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)urea CAS Name: 1-[5-bromo-3-(1-pyrrolidinylsulfonyl)-1H-indol-2-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)urea Traditional Name: 1-benzyl-3-(5-bromo-3-pyrrolidinosulfonyl-1H-indol-2-yl)urea Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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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)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C20H21BrN4O3S/c21-15-8-9-17-16(12-15)18(29(27,28)25-10-4-5-11-25)19(23-17)24-20(26)22-13-14-6-2-1-3-7-14/h1-3,6-9,12,23H,4-5,10-11,13H2,(H2,22,24,26)