N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=CC=C2Br)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=CC=C2Br)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22BrN3O5S/c1-29-17-9-8-14(12-18(17)30(27,28)24-10-4-5-11-24)20(26)22-13-19(25)23-16-7-3-2-6-15(16)21/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,22,26)(H,23,25)