(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide CAS Name: (2S)-2-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-N-(2-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazino]-N-o-phenetyl-propionamide Formula: C21H26BrN3O4S MolecularWeight: 496.41784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H26BrN3O4S/c1-3-29-20-10-5-4-9-19(20)23-21(26)16(2)24-11-13-25(14-12-24)30(27,28)18-8-6-7-17(22)15-18/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)/t16-/m0/s1