1-[4-[[3-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]amino]butyl]-4-[2-[(phenylmethyl)amino]ethylsulfonyl]-1,4-diazepan-2-one

Systemtic Name: 1-[4-[[3-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]amino]butyl]-4-[2-[(phenylmethyl)amino]ethylsulfonyl]-1,4-diazepan-2-one Openeye Name: 4-[2-(benzylamino)ethylsulfonyl]-1-[4-[[1,2-dimethyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]-1,4-diazepan-2-one CAS Name: 1-[4-[[3-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]amino]butyl]-4-[2-[(phenylmethyl)amino]ethylsulfonyl]-1,4-diazepan-2-one IUPAC Name: 4-[2-(benzylamino)ethylsulfonyl]-1-[4-[[3-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]amino]butyl]-1,4-diazepan-2-one Traditional Name: 4-[2-(benzylamino)ethylsulfonyl]-1-[4-[[3-(4-mesylphenyl)-1,2-dimethyl-propyl]amino]butyl]-1,4-diazepan-2-one Formula: C30H46N4O5S2 MolecularWeight: 606.84004

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)S(=O)(=O)C)C(C)NCCCCN2CCCN(CC2=O)S(=O)(=O)CCNCC3=CC=CC=C3

Isomeric SMILES

CC(CC1=CC=C(C=C1)S(=O)(=O)C)C(C)NCCCCN2CCCN(CC2=O)S(=O)(=O)CCNCC3=CC=CC=C3

InChI

InChI=1S/C30H46N4O5S2/c1-25(22-27-12-14-29(15-13-27)40(3,36)37)26(2)32-16-7-8-18-33-19-9-20-34(24-30(33)35)41(38,39)21-17-31-23-28-10-5-4-6-11-28/h4-6,10-15,25-26,31-32H,7-9,16-24H2,1-3H3