methyl (2S)-3-methyl-2-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethylsulfonyl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethylsulfonyl]amino]butanoate Openeye Name: methyl (2S)-2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethylsulfonyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[(phenylmethyl)-[2-(4-phenyl-1-piperazinyl)ethylsulfonyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethylsulfonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[benzyl-[2-(4-phenylpiperazino)ethylsulfonyl]amino]-3-methyl-butyric acid methyl ester Formula: C25H35N3O4S MolecularWeight: 473.6281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC1=CC=CC=C1)S(=O)(=O)CCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(CC1=CC=CC=C1)S(=O)(=O)CCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H35N3O4S/c1-21(2)24(25(29)32-3)28(20-22-10-6-4-7-11-22)33(30,31)19-18-26-14-16-27(17-15-26)23-12-8-5-9-13-23/h4-13,21,24H,14-20H2,1-3H3/t24-/m0/s1