3-[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylsulfonylpiperazin-1-yl)-3-oxo-propyl]benzamidine CAS Name: 3-[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylsulfonyl-1-piperazinyl)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-keto-3-(4-mesylpiperazino)propyl]benzamidine Formula: C25H35N5O5S2 MolecularWeight: 549.7059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC(=C2)C(=N)N)C(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC(=C2)C(=N)N)C(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C25H35N5O5S2/c1-25(2,3)20-8-10-21(11-9-20)37(34,35)28-22(17-18-6-5-7-19(16-18)23(26)27)24(31)29-12-14-30(15-13-29)36(4,32)33/h5-11,16,22,28H,12-15,17H2,1-4H3,(H3,26,27)/t22-/m0/s1