N-[(2S)-3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide Openeye Name: N-[(1S)-2-methyl-1-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]propyl]-2-phenyl-acetamide CAS Name: N-[(2S)-3-methyl-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-oxobutan-2-yl]-2-phenylacetamide IUPAC Name: N-[(2S)-3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide Traditional Name: N-[(1S)-2-methyl-1-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]propyl]-2-phenyl-acetamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-20(2)26(28-25(31)18-21-8-4-3-5-9-21)27(32)29-14-16-30(17-15-29)35(33,34)24-13-12-22-10-6-7-11-23(22)19-24/h3-13,19-20,26H,14-18H2,1-2H3,(H,28,31)/t26-/m0/s1