N-[4-(2-azanylidenepiperidin-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-butanamide

Systemtic Name: N-[4-(2-azanylidenepiperidin-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-butanamide Openeye Name: 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-imino-1-piperidyl)phenyl]-4-methylsulfonyl-butanamide CAS Name: 2-[[(4-chloroanilino)-oxomethyl]amino]-N-[4-(2-imino-1-piperidinyl)phenyl]-4-methylsulfonylbutanamide IUPAC Name: 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-4-methylsulfonylbutanamide Traditional Name: 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidino)phenyl]-4-mesyl-butyramide Formula: C23H28ClN5O4S MolecularWeight: 506.01752

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC=C(C=C1)N2CCCCC2=N)NC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC1=CC=C(C=C1)N2CCCCC2=N)NC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN5O4S/c1-34(32,33)15-13-20(28-23(31)27-18-7-5-16(24)6-8-18)22(30)26-17-9-11-19(12-10-17)29-14-3-2-4-21(29)25/h5-12,20,25H,2-4,13-15H2,1H3,(H,26,30)(H2,27,28,31)