4-(1-ethylindol-5-yl)sulfonyl-N-(3-methylbutyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(3-methylbutyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(1-ethylindol-5-yl)sulfonyl-N-isopentyl-1,4-diazepane-1-carboxamide CAS Name: 4-[(1-ethyl-5-indolyl)sulfonyl]-N-(3-methylbutyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(3-methylbutyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(1-ethylindol-5-yl)sulfonyl-N-isoamyl-1,4-diazepane-1-carboxamide Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NCCC(C)C

Isomeric SMILES

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NCCC(C)C

InChI

InChI=1S/C21H32N4O3S/c1-4-23-13-9-18-16-19(6-7-20(18)23)29(27,28)25-12-5-11-24(14-15-25)21(26)22-10-8-17(2)3/h6-7,9,13,16-17H,4-5,8,10-12,14-15H2,1-3H3,(H,22,26)