1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-[2-[(phenylmethyl)amino]ethylsulfonyl]piperazin-2-one

Systemtic Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-[2-[(phenylmethyl)amino]ethylsulfonyl]piperazin-2-one Openeye Name: 4-[2-(benzylamino)ethylsulfonyl]-1-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]piperazin-2-one CAS Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-[2-[(phenylmethyl)amino]ethylsulfonyl]-2-piperazinone IUPAC Name: 4-[2-(benzylamino)ethylsulfonyl]-1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]piperazin-2-one Traditional Name: 4-[2-(benzylamino)ethylsulfonyl]-1-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]piperazin-2-one Formula: C29H44N4O5S2 MolecularWeight: 592.81346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCN(CC1=O)S(=O)(=O)CCNCC2=CC=CC=C2)C(C)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1CCN(CC1=O)S(=O)(=O)CCNCC2=CC=CC=C2)C(C)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C29H44N4O5S2/c1-4-31(25(2)22-26-12-14-28(15-13-26)39(3,35)36)17-8-9-18-32-19-20-33(24-29(32)34)40(37,38)21-16-30-23-27-10-6-5-7-11-27/h5-7,10-15,25,30H,4,8-9,16-24H2,1-3H3