4-[4-[1-[4-(1H-imidazol-2-ylsulfonyl)phenyl]propan-2-ylamino]butyl]-1,4-diazepan-5-one

Systemtic Name: 4-[4-[1-[4-(1H-imidazol-2-ylsulfonyl)phenyl]propan-2-ylamino]butyl]-1,4-diazepan-5-one Openeye Name: 4-[4-[[2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-1-methyl-ethyl]amino]butyl]-1,4-diazepan-5-one CAS Name: 4-[4-[1-[4-(1H-imidazol-2-ylsulfonyl)phenyl]propan-2-ylamino]butyl]-1,4-diazepan-5-one IUPAC Name: 4-[4-[1-[4-(1H-imidazol-2-ylsulfonyl)phenyl]propan-2-ylamino]butyl]-1,4-diazepan-5-one Traditional Name: 4-[4-[[2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-1-methyl-ethyl]amino]butyl]-1,4-diazepan-5-one Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)S(=O)(=O)C2=NC=CN2)NCCCCN3CCNCCC3=O

Isomeric SMILES

CC(CC1=CC=C(C=C1)S(=O)(=O)C2=NC=CN2)NCCCCN3CCNCCC3=O

InChI

InChI=1S/C21H31N5O3S/c1-17(23-9-2-3-14-26-15-13-22-10-8-20(26)27)16-18-4-6-19(7-5-18)30(28,29)21-24-11-12-25-21/h4-7,11-12,17,22-23H,2-3,8-10,13-16H2,1H3,(H,24,25)