1-[(2S,3S)-3-methyl-1-oxidanylidene-1-[2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylhydrazinyl]pentan-2-yl]urea

Systemtic Name: 1-[(2S,3S)-3-methyl-1-oxidanylidene-1-[2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylhydrazinyl]pentan-2-yl]urea Openeye Name: [(1S,2S)-2-methyl-1-[[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]butyl]urea CAS Name: [(2S,3S)-3-methyl-1-oxo-1-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazo]pentan-2-yl]urea IUPAC Name: [(2S,3S)-3-methyl-1-oxo-1-[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]pentan-2-yl]urea Traditional Name: [(1S,2S)-2-methyl-1-[[(3-pyrrolidinosulfonylbenzoyl)amino]carbamoyl]butyl]urea Formula: C18H27N5O5S MolecularWeight: 425.50248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)NC(=O)N

InChI

InChI=1S/C18H27N5O5S/c1-3-12(2)15(20-18(19)26)17(25)22-21-16(24)13-7-6-8-14(11-13)29(27,28)23-9-4-5-10-23/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,21,24)(H,22,25)(H3,19,20,26)/t12-,15-/m0/s1