N'-(4-bromanyl-3-methyl-phenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]ethanediamide

Systemtic Name: N'-(4-bromanyl-3-methyl-phenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]ethanediamide Openeye Name: N'-(4-bromo-3-methyl-phenyl)-N-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethyl]oxamide CAS Name: N'-(4-bromo-3-methylphenyl)-N-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethyl]oxamide IUPAC Name: N'-(4-bromo-3-methylphenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide Traditional Name: N'-(4-bromo-3-methyl-phenyl)-N-[2-[4-(2-naphthylsulfonyl)piperazino]ethyl]oxamide Formula: C25H27BrN4O4S MolecularWeight: 559.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C25H27BrN4O4S/c1-18-16-21(7-9-23(18)26)28-25(32)24(31)27-10-11-29-12-14-30(15-13-29)35(33,34)22-8-6-19-4-2-3-5-20(19)17-22/h2-9,16-17H,10-15H2,1H3,(H,27,31)(H,28,32)