(phenylmethyl) N-[(2S)-1-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[4-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-1-piperazinyl]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[4-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C21H27N5O6S MolecularWeight: 477.53398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O6S/c1-15(23-21(29)32-14-16-6-4-3-5-7-16)20(28)25-8-10-26(11-9-25)33(30,31)17-12-18(19(22)27)24(2)13-17/h3-7,12-13,15H,8-11,14H2,1-2H3,(H2,22,27)(H,23,29)/t15-/m0/s1